| SpectraBase Spectrum ID |
2Zdz9EjGVnk |
| Name |
Pentanoic acid, 4-methyl- |
| Alternate Name(s) |
Valeric acid, 4-methyl-
3-Methylbutane-1-carboxylic acid
4,4-Dimethylbutanoic acid
4-Methyl-n-valeric acid
4-Methylpentanoic acid
4-Methylvaleric acid
Isobutylacetic acid
Isocaproic acid
Isohexanoic acid
Isohexanoic acid (mixed isomers)
Isohexoic acid
AI3-04161
BRN 1741912
EINECS 211-464-0
FEMA NO. 3463
NSC 4126 |
| CAS Registry Number |
646-07-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey |
FGKJLKRYENPLQH-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| SMILES |
OC(CCC(C)C)=O |
| SPLASH |
splash10-0ab9-9000000000-836ad69469a6db9f1c54 |
| Source of Spectrum |
PR-1145-0-0 |
| Wiley ID |
240630 |
