| SpectraBase Spectrum ID |
1P2JvTPnq4z |
| Name |
2-Benzoyl-3-methyl-5-(3-oxobutylthio)benzoic acid methyl ester |
| Alternate Name(s) |
2-Benzoyl-5-(3-ketobutylthio)-3-methyl-benzoic acid methyl ester
Methyl 3-methyl-5-(3-oxidanylidenebutylsulfanyl)-2-(phenylcarbonyl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20O4S |
| InChI |
InChI=1S/C20H20O4S/c1-13-11-16(25-10-9-14(2)21)12-17(20(23)24-3)18(13)19(22)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3 |
| InChIKey |
GSLJBELZUVDHOA-UHFFFAOYSA-N |
| Molecular Weight |
356.436 g/mol |
| SMILES |
C(c1c(c(cc(c1)SCCC(C)=O)C)C(c1ccccc1)=O)(=O)OC |
| SPLASH |
splash10-0a7i-2195000000-348d8d6dba57c3359fe4 |
| Source of Spectrum |
J-64-6188-40 |
| Wiley ID |
1530756 |
