| SpectraBase Spectrum ID |
3uOVTFEPq7i |
| Name |
o-Methyl 4-(benzoylamino)butane(thio)oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.082349899 u |
| Formula |
C12H15NO2S |
| InChI |
InChI=1S/C12H15NO2S/c1-15-11(16)8-5-9-13-12(14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,14) |
| InChIKey |
WWPHFWDALYVLAN-UHFFFAOYSA-N |
| Molecular Weight |
237.317 g/mol |
| SMILES |
C(=O)(C1=CC=CC=C1)NCCCC(=S)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904107 |
