| SpectraBase Spectrum ID |
8iPSFQtA02Y |
| Name |
Benzoic acid, 2-[[1-(2-methylpropyl)-2,5-dioxo-3-pyrrolidinyl]thio]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.087829201 u |
| Formula |
C15H17NO4S |
| InChI |
InChI=1S/C15H17NO4S/c1-9(2)8-16-13(17)7-12(14(16)18)21-11-6-4-3-5-10(11)15(19)20/h3-6,9,12H,7-8H2,1-2H3,(H,19,20) |
| InChIKey |
BFYPNOCSODCUBO-UHFFFAOYSA-N |
| Molecular Weight |
307.364 g/mol |
| SMILES |
OC(C1=C(SC2C(N(C(C2)=O)CC(C)C)=O)C=CC=C1)=O |
![Benzoic acid, 2-[[1-(2-methylpropyl)-2,5-dioxo-3-pyrrolidinyl]thio]-](/api/spectrum/8iPSFQtA02Y/structure.png?h=300&w=458 "Benzoic acid, 2-[[1-(2-methylpropyl)-2,5-dioxo-3-pyrrolidinyl]thio]-")
