Suberic acid, 2TBDMS derivative
- Formula: C20H42O4Si2
- Molecular weight: 402.7161
- IUPAC Standard InChI: InChI=1S/C20H42O4Si2/c1-19(2,3)25(7,8)23-17(21)15-13-11-12-14-16-18(22)24-26(9,10)20(4,5)6/h11-16H2,1-10H3
- IUPAC Standard InChIKey: JADJIPYOCLEURF-UHFFFAOYSA-N
- CAS Registry Number: 104255-96-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Octanedioic acid, bis(tert-butyldimethylsilyl) ester; Octanedioic acid, bis[(1,1-dimethylethyl)dimethylsilyl] ester; Suberic acid, bis(tert-butyldimethylsilyl) ester; Suberic acid, diTBDMS; Suberic acid, bis-TBDMS ester; Bis[tert-butyl(dimethyl)silyl] suberate; Suberic acid, TBDMS; Suberic acid, DMTBS; Suberate, TBDMS
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2174. | Ohie, Fu, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 10. K/min, 300. C @ 15. min |
| Capillary | DB-5 | 2174. | Ohie, Fu, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 10. K/min, 300. C @ 15. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2161.3 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2168. | Paik, Lee, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min; Tend: 290. C |
| Capillary | DB-5 | 2171. | Kim, Kim, et al., 1990 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-1 | 2157. | Kim, Hahn, et al., 1989 | 30. m/0.32 mm/0.25 μm, N2, 60. C @ 2. min, 4. K/min; Tend: 280. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ohie, Fu, et al., 2000
Ohie, T.; Fu, X.; Iga, M.; Kimura, M.; Yamaguchi, S.,
Gas chromatography-mass spectrometry with tert .-butyldimethylsilyl derivatization: use of the simplified sample preparations and the automated data system to screen for organic acidemias,
J. Chromatogr. B, 2000, 746, 1, 63-73, https://doi.org/10.1016/S0378-4347(00)00105-5
. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Paik, Lee, et al., 2005
Paik, M.-J.; Lee, H.-J.; Kim, K.-R.,
Simultaneous retention index analysis of urinary amino acids and carboxylic acids for graphic recognition of abnormal state,
J. Chromatogr. B, 2005, 821, 1, 94-104, https://doi.org/10.1016/j.jchromb.2005.04.011
. [all data]
Kim, Kim, et al., 1990
Kim, K.-R.; Kim, J.-H.; Park, H.-K.,
Trace analysis as TBDMS derivatives of organic acids in aqueous samples,
J. Korean Chem. Soc., 1990, 34, 4, 352-359. [all data]
Kim, Hahn, et al., 1989
Kim, K.R.; Hahn, M.K.; Zlatkis, A.; Horning, E.C.; Middleditch, B.S.,
Simultaneous gas chromatography of volatile and nonvolatile carboxylic acids as tert.-butyldimethylsilyl derivatives,
J. Chromatogr., 1989, 468, 289-301, https://doi.org/10.1016/S0021-9673(00)96323-4
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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