| SpectraBase Spectrum ID |
5j4P4KrEP5Z |
| Name |
Heptanoic acid, 4-oxo-5-(phenylthio)-, methyl ester |
| CAS Registry Number |
109574-16-5 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O3S |
| InChI |
InChI=1S/C14H18O3S/c1-3-13(12(15)9-10-14(16)17-2)18-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3 |
| InChIKey |
ZNSAVKVJIDMJAJ-UHFFFAOYSA-N |
| Molecular Weight |
266.355 g/mol |
| SMILES |
C(Sc1ccccc1)(C(=O)CCC(=O)OC)CC |
| SPLASH |
splash10-0uxr-1910000000-aceba642f85b6e84c484 |
| Source of Spectrum |
KC-1986-2003-0 |
| Synonyms |
Methyl 4-oxo-5-(phenylsulfanyl)heptanoate
Methyl 4-oxo-5-phenylthioheptanoate |
| Wiley ID |
1269822 |
