| SpectraBase Spectrum ID |
H6qIj3LQsQP |
| Name |
1-Chloranyl-4-[[3-(trifluoromethyl)phenoxy]methylsulfanyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.009298304 u |
| Formula |
C14H10ClF3OS |
| InChI |
InChI=1S/C14H10ClF3OS/c15-11-4-6-13(7-5-11)20-9-19-12-3-1-2-10(8-12)14(16,17)18/h1-8H,9H2 |
| InChIKey |
HKDJZGNPMCSJAW-UHFFFAOYSA-N |
| Molecular Weight |
318.741 g/mol |
| SMILES |
C(C1=CC(OCSC2=CC=C(C=C2)Cl)=CC=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895262 |
![1-Chloranyl-4-[[3-(trifluoromethyl)phenoxy]methylsulfanyl]benzene](/api/spectrum/H6qIj3LQsQP/structure.png?h=300&w=458 "1-Chloranyl-4-[[3-(trifluoromethyl)phenoxy]methylsulfanyl]benzene")
