| SpectraBase Spectrum ID |
KsnkZN7BVCB |
| Name |
Benzenecarboxamide, 2-methoxy-4-methylthio-N-methyl-N-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.097999963 u |
| Formula |
C16H17NO2S |
| InChI |
InChI=1S/C16H17NO2S/c1-17(12-7-5-4-6-8-12)16(18)14-10-9-13(20-3)11-15(14)19-2/h4-11H,1-3H3 |
| InChIKey |
GMEMKYCEOFGSPR-UHFFFAOYSA-N |
| SMILES |
C1(=CC=CC=C1)N(C(=O)C=1C(=CC(SC)=CC1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830794 |
