| SpectraBase Spectrum ID |
1hWIWXgXoBD |
| Name |
Methanethione, (4-chlorophenyl)(2,6-dimethylmorpholino)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.064113012 u |
| Formula |
C13H16ClNOS |
| InChI |
InChI=1S/C13H16ClNOS/c1-9-7-15(8-10(2)16-9)13(17)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey |
CBLPEGHGZVNAQL-UHFFFAOYSA-N |
| SMILES |
CC1CN(C(C2=CC=C(C=C2)Cl)=S)CC(C)O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947287 |
