| SpectraBase Spectrum ID |
58TuVeKRI3S |
| Name |
benzoylformic acid, 1TMS, 1MEOX |
| Comments |
Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 251.098); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000086; Note: The molecular formula of the structure shown is C8H6O3 - which differs from the formula reported for the mass spectrum (C12H17NO3Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17NO3Si |
| InChI |
InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) |
| InChIKey |
FAQJJMHZNSSFSM-UHFFFAOYSA-N |
| Molecular Weight |
150.133 g/mol |
| SMILES |
OC(C(c1ccccc1)=O)=O |
| SPLASH |
splash10-00di-1690000000-0a27470c3ae2d3433700 |
| Source of Spectrum |
FM-2019-86-0 |
| Synonyms |
Phenylglyoxylic acid, 1TMS, 1MEOX
BENZOYLFORMIC ACID, 1TMS, 1MEOX
Benzoylformate, 1TMS, 1MEOX
Phenylglyoxalate, 1TMS, 1MEOX
Phenylglyoxylate, 1TMS, 1MEOX
Benzeneglyoxylic acid, 1TMS, 1MEOX
2-Oxo-2-phenylacetic acid, 1TMS, 1MEOX
2-Oxo-2-phenylacetic acid |
| Wiley ID |
1817780 |
