Benadryl


IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Source reference COBLENTZ NO. 05125
Date 1962/06/06
Name(s) N-[2-(benzhydryloxy)ethyl]-N,N-dimethylamine
2-(benzhydryloxy)-N,N-dimethylethanamine
State SOLUTION (CS2 FOR 5-15 microns, AND C2Cl4 FOR 2-7.7 microns)
Instrument PERKIN-ELMER 21 (GRATING)
Instrument parameters FILTER AT ABOUT 10 MICRONS
Path length 0.1 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY (ADJUSTED subtractmicron0.1um)
Boiling point 150-165 C AT 2.0 mmHg

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Virginia Division of Forensic Science
NIST MS number 250549

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryBP-1200.1865.Japp, Gill, et al., 198725. m/0.22 mm/0.25 μm, N2
CapillaryBP-1200.1872.Japp, Gill, et al., 198725. m/0.53 mm/1. μm, N2
PackedSE-30200.1868.Musumarra, Scarlata, et al., 1987N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m
PackedSE-30210.1874.Lenchik, Rudenko, et al., 1986N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m
PackedSE-30210.1890.Lenchik, Rudenko, et al., 1986N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m
CapillarySPB-1250.1888.Lora-Tamayo, Rams, et al., 1986He; Column length: 25. m; Column diameter: 0.20 mm
PackedOV-1200.1870.Berninger and Möller, 1977 
PackedOV-101150.1850.Möller, 1976N2, Chromosorb W; Column length: 2. m
PackedOV-101190.1870.Möller, 1976N2, Chromosorb W; Column length: 2. m
PackedOV-101230.1885.Möller, 1976N2, Chromosorb W; Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-301857.Schepers, Wijsbeek, et al., 198225. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedOV-1011880.McLinden and Stenhouse, 1979N2, Chromosorb W; Column length: 2. m; Program: not specified
PackedOV-11885.Berninger, Grunnagel, et al., 1975N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified
PackedOV-11860.Berninger, Grunnagel, et al., 1975N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified
PackedSE-301855.Moffat, Stead, et al., 1974Column length: 2. m; Program: not specified

Kovats' RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedCarbowax 20M2513.Moffat, Stead, et al., 1974Column length: 1. m; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySPB-11873.Christ, Noomano, et al., 198830. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; Tstart: 160. C
CapillaryCBP-11846.Oyama, Sano, et al., 1987N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; Tstart: 120. C; Tend: 250. C
CapillaryDB-11849.Perrigo, Peel, et al., 198515. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C
CapillaryDB-11849.Perrigo, Ballantyne, et al., 198415. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C
CapillarySE-301842.Anderson and Stafford, 198315. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C
CapillarySE-301841.Anderson and Stafford, 198315. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C
PackedSE-301865.Perrigo and Peel, 1981N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1870.University Centre for Pharmacy, 200312.5 m/0.32 mm/1.5 μm; Program: 135C(4min) => 13C/min => 200C => 8C/min => 240C => 6C/min => 312C (6min)
CapillaryCP Sil 5 CB1869.Aderjan and Bogusz, 198810. m/0.53 mm/5.0 μm, He; Program: 100 0C (2 min ) 15 0C/min -> 200 0C 10 0C/min -> 300 0C (8 min hold)
CapillaryBP-11852.Stowell and Wilson, 198712. m/0.22 mm/0.25 μm, He; Program: 120C => 8C/min => 270C => 25C/min => 300C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedSE-301873.MHA, 9999Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C
CapillaryDB-51844.Phillips, Logan, et al., 199015. m/0.25 mm/0.2 μm, He, 10. K/min; Tstart: 185. C; Tend: 270. C
CapillaryOV-11873.Schutz and Wollrab A., 198816. K/min; Tstart: 200. C; Tend: 280. C
PackedSE-301865.Marozzi, Gambaro, et al., 1982Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane1908.Grigoriev and Savchuk, 201025. m/0.20 mm/0.33 μm; Program: 50 0C (0.5 min) 99 0C/min -> 100 0C (1 min) 15 0C/min -> 280 0C (20 min)
Capillary5 % Phenyl methyl siloxane1908.Grigoriev and Savchuk, 201025. m/0.20 mm/0.33 μm; Program: 50 0C (0.5 min) 99 0C/min -> 100 0C (1 min) 15 0C/min -> 280 0C (20 min)
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1842.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
OtherMethyl Silicone1870.Ardrey and Moffat, 1981Program: not specified

References

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D., Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns, J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]

Musumarra, Scarlata, et al., 1987
Musumarra, G.; Scarlata, G.; Romano, G.; Cappello, G.; Clementi, S.; Giulietti, G., Qualitative organic analysis. Part 2. Identification of drugs by principal components analysis of standardized TLC data in four eluent systems and of retention indices on SE 30, J. Anal. Toxicol., 1987, 11, 4, 154-163, https://doi.org/10.1093/jat/11.4.154 . [all data]

Lenchik, Rudenko, et al., 1986
Lenchik, N.V.; Rudenko, B.A.; Dzhabarov, D.N., Gas chromatographic analysis of nitrogen-containing pharmaceticals using a thermoaerosol detector and non-porous sorbents, Zh. Anal. Khim., 1986, 1438-1443. [all data]

Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R., Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns, J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5 . [all data]

Berninger and Möller, 1977
Berninger, H.; Möller, M.R., Retentionsindices zur gaschromatographischen Identifizierung von Arzneimitteln, Arch. Toxicol., 1977, 37, 4, 295-305, https://doi.org/10.1007/BF00330821 . [all data]

Möller, 1976
Möller, M.R., Comparability of retention indices of polar substances at elevated temperatures, Chromatographia, 1976, 9, 7, 311-314, https://doi.org/10.1007/BF02268832 . [all data]

Schepers, Wijsbeek, et al., 1982
Schepers, P.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A., Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indices, J. Forensic Sci., 1982, 27, 1, 49-60. [all data]

McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2 . [all data]

Berninger, Grunnagel, et al., 1975
Berninger, H.; Grunnagel, R.; Mall, S.; Moller, M.R., Gas chromatographic identification of unknown substances from body fluids by menas of retention indices, Beitr. Gerichtl. Med., 1975, 33, 185-191. [all data]

Moffat, Stead, et al., 1974
Moffat, A.C.; Stead, A.H.; Smalldon, K.W., Optimum use of paper, thin-layer and gas-liquid chromatography for the identification of basic drugs. III. Gas-liquid chromatography, J. Chromatogr., 1974, 90, 1, 19-33, https://doi.org/10.1016/S0021-9673(01)94770-3 . [all data]

Christ, Noomano, et al., 1988
Christ, D.W.; Noomano, P.; Rosas, M.; Rhone, D., Retention indices by wide-bore capillary gas chromatography with nitrogen-phosphorus detection, J. Anal. Toxicol., 1988, 12, 2, 84-88, https://doi.org/10.1093/jat/12.2.84 . [all data]

Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K., Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices, Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342 . [all data]

Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J., Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology., J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6 . [all data]

Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W., Condierations in developing a data base for drugs on a DBI capillary column, J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360 . [all data]

Anderson and Stafford, 1983
Anderson, W.H.; Stafford, D.T., Applications of capillary gas chromatography in routine toxicological analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 5, 247-254, https://doi.org/10.1002/jhrc.1240060506 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

University Centre for Pharmacy, 2003
University Centre for Pharmacy, University of Groninger, Systematic toxicological analysis, 2003, retrieved from http://www.farm.rug.nl/InterACT/wijopnet.html. [all data]

Aderjan and Bogusz, 1988
Aderjan, R.; Bogusz, M., Nitroalkanes as a multidetector retention index scale for drug identification in gas chromatography, J. Chromatogr., 1988, 454, 345-351, https://doi.org/10.1016/S0021-9673(00)88629-X . [all data]

Stowell and Wilson, 1987
Stowell, A.; Wilson, L.W., A simple approach to the interlaboratory transfer of drug retention indices determined by temperature programmed capillary gas chromatography, J. Forensic Sci., 1987, 32, 5, 1214-1220. [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Phillips, Logan, et al., 1990
Phillips, A.M.; Logan, B.K.; Stafford, D.T., Further applications for capillary gas chromatography in routine quantitative toxicological analyses, J. Hi. Res. Chromatogr., 1990, 13, 11, 754-758, https://doi.org/10.1002/jhrc.1240131106 . [all data]

Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A., The significance of the retention index in toxicologic analysis II, Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [all data]

Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F., Use of the retention index in gas chromatographic studies of drugs, J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185 . [all data]

Grigoriev and Savchuk, 2010
Grigoriev, A.M.; Savchuk, S.A., Correlation of the parameters of screening libraries of the gas-chromatographic retention data, Rus. J. Anal. Chem. (Engl. Transl.), 2010, 65, 4, 388-397. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

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