| SpectraBase Spectrum ID |
9jgTEls9QhX |
| Name |
4-Pyridoxic acid, 3TMS |
| Comments |
Derivatization type: 3 TMS (mass: 399.172); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000862; Note: The molecular formula of the structure shown is C8H9NO4 - which differs from the formula reported for the mass spectrum (C17H33NO4Si3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H33NO4Si3 |
| InChI |
InChI=1S/C17H33NO4Si3/c1-13-16(21-24(5,6)7)15(17(19)22-25(8,9)10)14(11-18-13)12-20-23(2,3)4/h11H,12H2,1-10H3 |
| InChIKey |
HSIPISKXEKPCKY-UHFFFAOYSA-N |
| Molecular Weight |
399.709 g/mol |
| SMILES |
Cc1c(c(c(cn1)CO[Si](C)(C)C)C(O[Si](C)(C)C)=O)O[Si](C)(C)C |
| SPLASH |
splash10-0002-0962000000-a05cde3ca010ce93dcb8 |
| Source of Spectrum |
FM-2019-862-0 |
| Synonyms |
4-Pyridoxic acid, 3TMS
Pyridoxic acid, 3TMS
4-Pyridoxate, 3TMS
4-Pyridoxinic acid, 3TMS
4-Pyridoxylic acid, 3TMS
5-Pyridoxic acid, 3TMS
3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid, 3TMS
Trimethylsilyl 2-methyl-3-((trimethylsilyl)oxy)-5-(((trimethylsilyl)oxy)methyl)isonicotinate |
| Wiley ID |
1818531 |
