| SpectraBase Spectrum ID |
Gf54QnKVclW |
| Name |
4-Acetylbutyric acid, 1TMS, 1MEOX |
| Alternate Name(s) |
4-Acetylbutyric acid, 1TMS, 1MEOX
5-Ketohexanoic acid, 1TMS, 1MEOX
5-Ketocaproic acid, 1TMS, 1MEOX
5-OXOHEXANOIC ACID, 1TMS, 1MEOX
5-Oxohexanoate, 1TMS, 1MEOX
delta-Oxocaproic acid, 1TMS, 1MEOX
5-Oxohexanoic acid, 1TMS, 1MEOX
5-Oxohexanoic acid |
| Comments |
Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 231.129); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000153; 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/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9) |
| InChIKey |
MGTZCLMLSSAXLD-UHFFFAOYSA-N |
| Molecular Weight |
130.143 g/mol |
| SMILES |
OC(CCCC(C)=O)=O |
| SPLASH |
splash10-0udr-5910000000-01e471b045bffe4387f5 |
| Source of Spectrum |
FM-2019-153-0 |
| Wiley ID |
1817846 |
