| SpectraBase Spectrum ID |
7qHaPizb2vf |
| Name |
Acetamide, 2-(phenylthio)-N-(2-pentyl)-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.212635795 u |
| Formula |
C19H31NOS |
| InChI |
InChI=1S/C19H31NOS/c1-4-6-7-11-15-20(17(3)12-5-2)19(21)16-22-18-13-9-8-10-14-18/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3 |
| InChIKey |
LXJZHVQCTGMNIO-UHFFFAOYSA-N |
| Molecular Weight |
321.523 g/mol |
| SMILES |
C(C(=O)N(CCCCCC)C(CCC)C)SC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893988 |
