SpectraBase Spectrum ID |
AG4N7QHnqIl |
Name |
Acetamide, N-(2-mercapto-1-phenylethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
195.071785216 u |
Formula |
C10H13NOS |
InChI |
InChI=1S/C10H13NOS/c1-8(12)11-10(7-13)9-5-3-2-4-6-9/h2-6,10,13H,7H2,1H3,(H,11,12) |
InChIKey |
MNFNWZHUBUSADK-UHFFFAOYSA-N |
Molecular Weight |
195.280 g/mol |
SMILES |
C(NC(C=1C=CC=CC1)CS)(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970053 |