Carbetapentane

Formula: C₂₀H₃₁NO₃
Molecular weight: 333.4650
IUPAC Standard InChI: InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
IUPAC Standard InChIKey: CFJMRBQWBDQYMK-UHFFFAOYSA-N
CAS Registry Number: 77-23-6
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester; Atussil; Ethanol, 2-[2-(diethylamino)ethoxy]-, 1-phenylcyclopentanecarboxylate (ester); Pentoxiverin; Pentoxyverin; Pentoxyverine; U.C.B. 2543; 1-Phenylcyclopentane-1-Carboxylic acid diethylaminoethoxyethyl ester; 2-(Diethylaminoethoxy)ethyl 1-phenyl-1-cyclopentanecarboxylate; 2-(Diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate; 2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate; 2-[2-(Diemthylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate; Pentoxiverine; 1-Cyclopentanecarboxylate, 2-(diethylaminoethoxy)ethyl-1-phenyl-
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Other data available:
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- Mass spectrum (electron ionization)
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Gas Chromatography

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

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

Column type	Active phase	I	Reference	Comment
Capillary	SE-30	2230.	Anderson and Stafford, 1983	15. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 100. C; T_end: 295. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Packed	OV-1	2250.	Marozzi, Gambaro, et al., 1982	Gas Chrom P, 5. K/min; Column length: 2. m; T_start: 150. C; T_end: 300. C
Packed	SE-30	2275.	Marozzi, Gambaro, et al., 1982	Gas Chrom P, 5. K/min; Column length: 2. m; T_start: 150. C; T_end: 300. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	2230.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Other	Methyl Silicone	2232.	Ardrey and Moffat, 1981	Program: not specified

References

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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]

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]

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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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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