SpectraBase Spectrum ID |
3HjwdgidYTu |
Name |
Acetamide, 2-triphenylmethylthio- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
333.118735409 u |
Formula |
C21H19NOS |
InChI |
InChI=1S/C21H19NOS/c22-20(23)16-24-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,22,23) |
InChIKey |
MWGZSNLLUOVUNK-UHFFFAOYSA-N |
Molecular Weight |
333.449 g/mol |
SMILES |
C(SCC(=O)N)(C=1C=CC=CC1)(C1=CC=CC=C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844294 |