| SpectraBase Spectrum ID |
2X4Fb9M20TA |
| Name |
Isovaleric acid methyl ester |
| Alternate Name(s) |
3-Methyl butanoic acid methyl ester |
| Comments |
MONAID: JP002112 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey |
OQAGVSWESNCJJT-UHFFFAOYSA-N |
| Ionization Type |
EI-B |
| Molecular Weight |
116.160 g/mol |
| SMILES |
COC(=O)CC(C)C |
| SPLASH |
splash10-0596-9000000000-d85987a519e13deffa59 |
| Source of Spectrum |
SRH-2022-2112-0 |
| Wiley ID |
1824481 |
