Aspirin, TBDMS derivative
- Formula: C15H22O4Si
- Molecular weight: 294.4183
- IUPAC Standard InChI: InChI=1S/C15H22O4Si/c1-11(16)18-13-10-8-7-9-12(13)14(17)19-20(5,6)15(2,3)4/h7-10H,1-6H3
- IUPAC Standard InChIKey: PTUZUDDOZGCNTE-UHFFFAOYSA-N
- CAS Registry Number: 129512-44-3
- 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: Benzoic acid, 2-acetyloxy-, tert.-butyldimethylsilyl ester; Acetylsalicylic acid, TBDMS
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 230. |
| Tend (C) | 280. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 2. |
| Final hold (min) | |
| I | 1790.8 |
| Reference | Kim, Shim, et al., 1993 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kim, Shim, et al., 1993
Kim, K.-R.; Shim, W.-H.; Shin, Y.-J.; Park, J.; Myung, S.; Hong, J.,
Capillary gas chromatography of acidic non-steroidal antiinflammatory drugs as tert.-butyldimethylsilyl derivatives,
J. Chromatogr. A, 1993, 641, 2, 319-327, https://doi.org/10.1016/0021-9673(93)80148-2
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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