SpectraBase Spectrum ID |
1PMkPbudD2A |
Name |
2-(Methylsulfanyl)-N-(2-phenylethyl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
271.103085344 u |
Formula |
C16H17NOS |
InChI |
InChI=1S/C16H17NOS/c1-19-15-10-6-5-9-14(15)16(18)17-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18) |
InChIKey |
CESCMZPJCXMQOJ-UHFFFAOYSA-N |
SMILES |
CSC1=C(C=CC=C1)C(=O)NCCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84581 |