| SpectraBase Spectrum ID |
D3IUIE7wJE0 |
| Name |
(E) and (Z)-Tert-butyl 2-chloro-4,4,4-trifluoro-3-phenylbut-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.063441878 u |
| Formula |
C14H14ClF3O2 |
| InChI |
InChI=1S/C14H14ClF3O2/c1-13(2,3)20-12(19)11(15)10(14(16,17)18)9-7-5-4-6-8-9/h4-8H,1-3H3/b11-10- |
| InChIKey |
XNHVJIUNMVQUDI-KHPPLWFESA-N |
| Molecular Weight |
306.712 g/mol |
| SMILES |
C(\C(=C\(C(F)(F)F)C1=CC=CC=C1)Cl)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9376 |
