| SpectraBase Spectrum ID |
8fAJ2mg3A5h |
| Name |
Heptanoic acid, 3-methyl-, phenylmethyl ester |
| CAS Registry Number |
118097-61-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-3-4-8-13(2)11-15(16)17-12-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3 |
| InChIKey |
RIZQOECGEOSKNH-UHFFFAOYSA-N |
| Molecular Weight |
234.339 g/mol |
| SMILES |
C(=O)(OCc1ccccc1)CC(CCCC)C |
| SPLASH |
splash10-0006-9000000000-b10b2b47e3f0f1cba12a |
| Source of Spectrum |
F-44-2061-0 |
| Synonyms |
Benzyl 3-methylheptanoate |
| Wiley ID |
1236394 |
