SpectraBase Spectrum ID |
DTcwTTW2lE5 |
Name |
1-Morpholino-2-(p-tolyl)ethanethione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.103085344 u |
Formula |
C13H17NOS |
InChI |
InChI=1S/C13H17NOS/c1-11-2-4-12(5-3-11)10-13(16)14-6-8-15-9-7-14/h2-5H,6-10H2,1H3 |
InChIKey |
MLMDFWXUVWJOQH-UHFFFAOYSA-N |
Molecular Weight |
235.345 g/mol |
SMILES |
C(N1CCOCC1)(=S)CC1=CC=C(C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945645 |