| SpectraBase Spectrum ID |
5FKX8vyzo |
| Name |
Hexanoic acid, 2-(phenylthio)-, methyl ester |
| Alternate Name(s) |
Methyl 2-(phenylsulfanyl)hexanoate
Methyl 2-phenylthiohexanoate |
| CAS Registry Number |
75280-16-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2S |
| InChI |
InChI=1S/C13H18O2S/c1-3-4-10-12(13(14)15-2)16-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey |
LFIXEAQWWPXUJP-UHFFFAOYSA-N |
| Molecular Weight |
238.345 g/mol |
| SMILES |
C(C(Sc1ccccc1)CCCC)(=O)OC |
| SPLASH |
splash10-00g9-0940000000-032443c233c629def693 |
| Source of Spectrum |
KC-1986-1942-5 |
| Wiley ID |
1240438 |
