| SpectraBase Spectrum ID |
CHzG5A4rgTm |
| Name |
2-ketocaproic acid, 1TMS, 1MEOX |
| Comments |
Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 231.129); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000469; Note: The molecular formula of the structure shown is C6H10O3 - which differs from the formula reported for the mass spectrum (C10H21NO3Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H21NO3Si |
| InChI |
InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) |
| InChIKey |
XNIHZNNZJHYHLC-UHFFFAOYSA-N |
| Molecular Weight |
130.143 g/mol |
| SMILES |
OC(C(CCCC)=O)=O |
| SPLASH |
splash10-000j-8910000000-fe0e1eb9cfbe0f6a97ed |
| Source of Spectrum |
FM-2019-469-0 |
| Synonyms |
2-Oxohexanoic acid |
| Wiley ID |
1818154 |
