| SpectraBase Spectrum ID |
7O3zGv6kdc9 |
| Name |
Pentanoic acid, 4-methyl-2-(phenylthio)-, methyl ester |
| Alternate Name(s) |
Methyl 4-methyl-2-(phenylsulfanyl)pentanoate
Methyl 4-methyl-2-phenylthiopentanoate |
| CAS Registry Number |
86895-67-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2S |
| InChI |
InChI=1S/C13H18O2S/c1-10(2)9-12(13(14)15-3)16-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3 |
| InChIKey |
REOMZCOAKVINRP-UHFFFAOYSA-N |
| Molecular Weight |
238.345 g/mol |
| SMILES |
C(C(=O)OC)(Sc1ccccc1)CC(C)C |
| SPLASH |
splash10-03k9-0910000000-d6c38ea06f24fe19159e |
| Source of Spectrum |
KC-1986-1941-5 |
| Wiley ID |
1240437 |
