SpectraBase Spectrum ID |
D9R6SKv1THD |
Name |
S-p-Tolyl 2-(methylamino)benzothioate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
257.087435280 u |
Formula |
C15H15NOS |
InChI |
InChI=1S/C15H15NOS/c1-11-7-9-12(10-8-11)18-15(17)13-5-3-4-6-14(13)16-2/h3-10,16H,1-2H3 |
InChIKey |
BMGGUMGTLHHSPP-UHFFFAOYSA-N |
Molecular Weight |
257.351 g/mol |
SMILES |
C(C1=C(NC)C=CC=C1)(SC1=CC=C(C=C1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893957 |