![1-[(E)-2-chloroethenyl]-4-(trifluoromethyl)benzene](/api/spectrum/Intu06ktL1w/structure.png?h=300&w=458 "1-[(E)-2-chloroethenyl]-4-(trifluoromethyl)benzene")
| SpectraBase Compound ID | HM0Emvm8yJd |
|---|---|
| InChI | InChI=1S/C9H6ClF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-6H/b6-5+ |
| InChIKey | JJOYMOHEWZJPAX-AATRIKPKSA-N |
| Mol Weight | 206.6 g/mol |
| Molecular Formula | C9H6ClF3 |
| Exact Mass | 206.011012 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Intu06ktL1w |
|---|---|
| Name | 1-[(E)-2-Chloroethenyl]-4-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.011012382 u |
| Formula | C9H6ClF3 |
| InChI | InChI=1S/C9H6ClF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-6H/b6-5+ |
| InChIKey | JJOYMOHEWZJPAX-AATRIKPKSA-N |
| Molecular Weight | 206.595 g/mol |
| SMILES | C(C=1C=CC(\C=C\Cl)=CC1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913089 |