| SpectraBase Spectrum ID |
ET6uK4yaIN6 |
| Name |
Nicotinic acid, 1TMS |
| Alternate Name(s) |
Niacin, 1TMS
wampocap, 1TMS
Pellagramin, 1TMS
Apelagrin, 1TMS
Pellagrin, 1TMS
Pyridine-3-carboxylic acid, 1TMS
Trimethylsilyl nicotinate |
| Comments |
Derivatization type: 1 TMS (mass: 195.072); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001108; Note: The molecular formula of the structure shown is C6H5NO2 - which differs from the formula reported for the mass spectrum (C9H13NO2Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H13NO2Si |
| InChI |
InChI=1S/C9H13NO2Si/c1-13(2,3)12-9(11)8-5-4-6-10-7-8/h4-7H,1-3H3 |
| InChIKey |
PYFBRRMHOWLGJH-UHFFFAOYSA-N |
| Molecular Weight |
195.293 g/mol |
| SMILES |
c1cc(cnc1)C(=O)O[Si](C)(C)C |
| SPLASH |
splash10-053i-0900000000-c0bc1ecb56a1d13e0f55 |
| Source of Spectrum |
FM-2019-1108-0 |
| Wiley ID |
1818765 |
