SpectraBase Spectrum ID |
39jh48gTHcU |
Name |
Acetamide, 2-phenylthio-N-propyl-N-(2-ethylhexyl)- |
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/c1-4-7-11-17(6-3)15-20(14-5-2)19(21)16-22-18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3 |
InChIKey |
IGGBKCPGOGHART-UHFFFAOYSA-N |
Molecular Weight |
321.523 g/mol |
SMILES |
C(C(N(CC(CCCC)CC)CCC)=O)SC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852225 |