| SpectraBase Spectrum ID |
AWo94dyeOzW |
| Name |
1-[(E)-5-(Phenylthio)pent-2-enyl]-3-(trifluoromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.100306210 u |
| Formula |
C18H17F3S |
| InChI |
InChI=1S/C18H17F3S/c19-18(20,21)16-10-7-9-15(14-16)8-3-2-6-13-22-17-11-4-1-5-12-17/h1-5,7,9-12,14H,6,8,13H2/b3-2+ |
| InChIKey |
XYMIGGQOTCVVTP-NSCUHMNNSA-N |
| Molecular Weight |
322.389 g/mol |
| SMILES |
C(C1=CC(C\C=C\CCSC=2C=CC=CC2)=CC=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848038 |
![1-[(E)-5-(phenylthio)pent-2-enyl]-3-(trifluoromethyl)benzene](/api/spectrum/AWo94dyeOzW/structure.png?h=300&w=458 "1-[(E)-5-(phenylthio)pent-2-enyl]-3-(trifluoromethyl)benzene")
