SpectraBase Spectrum ID |
GmpzL3OGbHJ |
Name |
N-(2-(2,5-Dimethoxy-4-[(prop-2-en-1-yl)thio)phenyl)ethyl)formamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.108564647 u |
Formula |
C14H19NO3S |
InChI |
InChI=1S/C14H19NO3S/c1-4-7-19-14-9-12(17-2)11(5-6-15-10-16)8-13(14)18-3/h4,8-10H,1,5-7H2,2-3H3,(H,15,16) |
InChIKey |
LRZIDEZZQWSOME-UHFFFAOYSA-N |
SMILES |
C=1(C(=CC(=C(C1)OC)SCC=C)OC)CCNC=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866005 |