| SpectraBase Spectrum ID |
97lLyb7oL8X |
| Name |
1-Phthalimido-3-benzoylmercaptopropan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.056529073 u |
| Formula |
C18H13NO4S |
| InChI |
InChI=1S/C18H13NO4S/c20-13(11-24-18(23)12-6-2-1-3-7-12)10-19-16(21)14-8-4-5-9-15(14)17(19)22/h1-9H,10-11H2 |
| InChIKey |
KCMCOLGVKFKVSY-UHFFFAOYSA-N |
| Molecular Weight |
339.365 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(N(C2=O)CC(CSC(=O)C1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84255 |
