| SpectraBase Spectrum ID |
F9EtpM2ILQL |
| Name |
(E)-4,4,4-Trifluoro-1-(p-methoxyphenyl)-2-(p-tolylthio)but-2-en-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.090135448 u |
| Formula |
C18H17F3O2S |
| InChI |
InChI=1S/C18H17F3O2S/c1-12-3-9-15(10-4-12)24-16(11-18(19,20)21)17(22)13-5-7-14(23-2)8-6-13/h3-11,17,22H,1-2H3/b16-11+ |
| InChIKey |
QNVKVXLSOIHNFK-LFIBNONCSA-N |
| Molecular Weight |
354.387 g/mol |
| SMILES |
C(\C=C/(SC1=CC=C(C=C1)C)C(C1=CC=C(C=C1)OC)O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91355 |
