| SpectraBase Spectrum ID |
CBDYE7KewZN |
| Name |
Benzenepentanoic acid, .beta.-hexyl-.gamma.-oxo-, methyl ester |
| CAS Registry Number |
113749-11-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H26O3 |
| InChI |
InChI=1S/C18H26O3/c1-3-4-5-9-12-16(14-18(20)21-2)17(19)13-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3 |
| InChIKey |
KSQTYHCNEJDCFY-UHFFFAOYSA-N |
| Molecular Weight |
290.403 g/mol |
| SMILES |
C(C(CC(=O)OC)CCCCCC)(Cc1ccccc1)=O |
| SPLASH |
splash10-0005-3900000000-78a3a76b6b3471f472da |
| Source of Spectrum |
C-110-2584-0 |
| Synonyms |
Methyl 2-(benzylcarbonyl)-nonanoate
Methyl 3-(phenylacetyl)nonanoate |
| Wiley ID |
1293892 |
