| SpectraBase Spectrum ID |
IQu4KXTAXVO |
| Name |
1-[(E)-Pent-1-enyl]-4-(trifluoromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.096934908 u |
| Formula |
C12H13F3 |
| InChI |
InChI=1S/C12H13F3/c1-2-3-4-5-10-6-8-11(9-7-10)12(13,14)15/h4-9H,2-3H2,1H3/b5-4+ |
| InChIKey |
YDLVXUCBMWDGIQ-SNAWJCMRSA-N |
| Molecular Weight |
214.231 g/mol |
| SMILES |
C(\C=C\C=1C=CC(=CC1)C(F)(F)F)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854924 |
![1-[(E)-pent-1-enyl]-4-(trifluoromethyl)benzene](/api/spectrum/IQu4KXTAXVO/structure.png?h=300&w=458 "1-[(E)-pent-1-enyl]-4-(trifluoromethyl)benzene")
