| SpectraBase Spectrum ID |
Ba2PunbBZLG |
| Name |
Hexanoic acid, 2-methylbutyl ester |
| Alternate Name(s) |
2-Methylbutyl hexanoate
2-Methylbutyl caproate
AI3-33716
EINECS 220-005-3 |
| CAS Registry Number |
2601-13-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3 |
| InChIKey |
ZWMQVDONBUJJLL-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| SMILES |
CC(COC(CCCCC)=O)CC |
| SPLASH |
splash10-00dm-9000000000-2de1fbc59b578bb7d25b |
| Source of Spectrum |
LQ-1992-1726-0 |
| Wiley ID |
1183098 |
