| SpectraBase Spectrum ID |
B3MIiK4MoHA |
| Name |
2-Acetyl-5-(hexylthio)-3-phenyl-benzoic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O3S |
| InChI |
InChI=1S/C22H26O3S/c1-4-5-6-10-13-26-18-14-19(17-11-8-7-9-12-17)21(16(2)23)20(15-18)22(24)25-3/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3 |
| InChIKey |
ZBUJONRZBDLLBQ-UHFFFAOYSA-N |
| Molecular Weight |
370.507 g/mol |
| SMILES |
c1(c(c(cc(c1)SCCCCCC)C(=O)OC)C(=O)C)-c1ccccc1 |
| SPLASH |
splash10-0a4i-0009000000-fea060d58277eeaf57ca |
| Source of Spectrum |
J-64-6187-27 |
| Synonyms |
Methyl 2-acetyl-5-hexylsulfanyl-3-phenyl-benzoate
Methyl 2-ethanoyl-5-hexylsulfanyl-3-phenyl-benzoate
2-Acetyl-5-(hexylthio)-3-phenylbenzoic acid methyl ester |
| Wiley ID |
1530769 |
