| SpectraBase Spectrum ID |
DIlqoKiZWaa |
| Name |
4-Benzoyl-1-benzyl-5-methylthio-2-oxo-3-pyrrolin-3-acetic acid |
| Alternate Name(s) |
[4-benzoyl-1-benzyl-5-(methylsulfanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19NO4S |
| InChI |
InChI=1S/C21H19NO4S/c1-27-21-18(19(25)15-10-6-3-7-11-15)16(12-17(23)24)20(26)22(21)13-14-8-4-2-5-9-14/h2-11,21H,12-13H2,1H3,(H,23,24) |
| InChIKey |
KNNYFUCDWNHEHM-UHFFFAOYSA-N |
| Molecular Weight |
381.446 g/mol |
| SMILES |
OC(CC=1C(N(C(C1C(c1ccccc1)=O)SC)Cc1ccccc1)=O)=O |
| SPLASH |
splash10-0006-0091000000-128c995818aba798c2e5 |
| Source of Spectrum |
SO-0-284-3 |
| Wiley ID |
1539868 |
