| SpectraBase Spectrum ID |
EH8FkzlENSX |
| Name |
4-Phenylsulfanylmethyl-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.008397401 u |
| Formula |
C17H12F3NS3 |
| InChI |
InChI=1S/C17H12F3NS3/c18-17(19,20)12-5-4-6-13(9-12)21-14(11-24-16(21)22)10-23-15-7-2-1-3-8-15/h1-9,11H,10H2 |
| InChIKey |
HZEJXCVXJHCQPS-UHFFFAOYSA-N |
| Molecular Weight |
383.465 g/mol |
| SMILES |
C1(N2C(=S)SC=C2CSC=2C=CC=CC2)=CC(=CC=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930956 |
