| SpectraBase Spectrum ID |
EdcivUk974s |
| Name |
4-(3-Trifluoromethoxyphenyl)-3-cyano-but-3-enenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.051047341 u |
| Formula |
C12H7F3N2O |
| InChI |
InChI=1S/C12H7F3N2O/c13-12(14,15)18-11-3-1-2-9(7-11)6-10(8-17)4-5-16/h1-3,6-7H,4H2/b10-6+ |
| InChIKey |
LZJSBKQVMQEJMR-UXBLZVDNSA-N |
| Molecular Weight |
252.196 g/mol |
| SMILES |
C(\C(=C\C1=CC(=CC=C1)OC(F)(F)F)CC#N)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82878 |
