| SpectraBase Spectrum ID |
9NTPYO2Xjt1 |
| Name |
3-Methylvaleric acid |
| CAS Registry Number |
105-43-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H12O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey |
IGIDLTISMCAULB-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| SMILES |
OC(CC(CC)C)=O |
| SPLASH |
splash10-03dl-9000000000-4a16bc87a88f8532aea1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Valeric acid<3-methyl-> |
| Wiley ID |
1887960 |
