| SpectraBase Spectrum ID |
BoOU3Ij4Q1d |
| Name |
Ethenamine, 2-chloro-N,N-dimethyl-1-(methylthio)-2-phenyl-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.053548329 u |
| Formula |
C11H14ClNS |
| InChI |
InChI=1S/C11H14ClNS/c1-13(2)11(14-3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3/b11-10+ |
| InChIKey |
VVILNIICUUFOOI-ZHACJKMWSA-N |
| Molecular Weight |
227.753 g/mol |
| SMILES |
C=1(\C(=C\(N(C)C)SC)Cl)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935578 |
