| SpectraBase Spectrum ID |
6NqP4OyNjOk |
| Name |
3-Methyl-4-oxo-3-(phenylthio)pentanoic acid |
| Alternate Name(s) |
3-methyl-4-oxo-3-phenylsulfanylpentanoic acid
3-methyl-4-oxo-3-phenylsulfanyl-pentanoic acid
3-methyl-4-oxidanylidene-3-phenylsulfanyl-pentanoic acid |
| CAS Registry Number |
65263-91-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O3S |
| InChI |
InChI=1S/C12H14O3S/c1-9(13)12(2,8-11(14)15)16-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15) |
| InChIKey |
DPWQMHLKYPNGKR-UHFFFAOYSA-N |
| Molecular Weight |
238.301 g/mol |
| SMILES |
OC(CC(Sc1ccccc1)(C(=O)C)C)=O |
| SPLASH |
splash10-0a4i-0090000000-f74a4507b79cdd51ae99 |
| Source of Spectrum |
J-60-8387-8 |
| Wiley ID |
1240226 |
