| SpectraBase Spectrum ID |
IUMMHnS1ZGI |
| Name |
Butanoic acid, 1-methylhexyl ester |
| Alternate Name(s) |
1-Methylhexyl butyrate
1-Methylhexyl butanoate
2-Heptyl butanoate
2-Heptyl butyrate
Butanoic acid heptan-2-yl ester
Butyric acid 1-methylhexyl ester
Heptan-2-yl butanoate |
| CAS Registry Number |
39026-94-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h10H,4-9H2,1-3H3 |
| InChIKey |
GTKUPJHQSAPWLL-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| SMILES |
C(OC(CCC)=O)(CCCCC)C |
| SPLASH |
splash10-05fu-9000000000-70ab1adee8085d628916 |
| Source of Spectrum |
Va-0-0-0 |
| Wiley ID |
744191 |
