| SpectraBase Spectrum ID |
BK0eBe21vbx |
| Name |
2-(2'-Formylpropylthio)-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.066699835 u |
| Formula |
C11H13NO2S |
| InChI |
InChI=1S/C11H13NO2S/c12-11(14)9-5-1-2-6-10(9)15-8-4-3-7-13/h1-2,5-7H,3-4,8H2,(H2,12,14) |
| InChIKey |
KOCHHCOQOOGJPG-UHFFFAOYSA-N |
| Molecular Weight |
223.290 g/mol |
| SMILES |
C(=O)(C1=C(SCCCC=O)C=CC=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932286 |
