| SpectraBase Spectrum ID |
KeM75wffNgP |
| Name |
Butanoic acid, 1-methyloctyl ester |
| CAS Registry Number |
69727-42-0 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-4-6-7-8-9-11-12(3)15-13(14)10-5-2/h12H,4-11H2,1-3H3 |
| InChIKey |
HDDMRYSBWLSCQP-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| SMILES |
C(OC(CCC)=O)(CCCCCCC)C |
| SPLASH |
splash10-00dl-9000000000-346879c0e7e39daff999 |
| Source of Spectrum |
XW-231-0-0 |
| Synonyms |
1-Methyloctyl butyrate
1-Methyloctyl butanoate
2-Nonyl butanoate
Butanoic acid nonan-2-yl ester
Butyric acid 1-methyloctyl ester
nonan-2-yl butanoate |
| Wiley ID |
1213878 |
