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Tert-butyl 4,4,4-trifluoro-3-phenyl-2-butenoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Tert-butyl 4,4,4-trifluoro-3-phenyl-2-butenoate
SpectraBase Compound ID 9qg1MKwTBqJ
InChI InChI=1S/C14H15F3O2/c1-13(2,3)19-12(18)9-11(14(15,16)17)10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9-
InChIKey QAVXQLYUHVIWLO-LUAWRHEFSA-N
Mol Weight 272.27 g/mol
Molecular Formula C14H15F3O2
Exact Mass 272.102414 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AkqPvpg7gDT
Name Tert-butyl 4,4,4-trifluoro-3-phenyl-2-butenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.102414210 u
Formula C14H15F3O2
InChI InChI=1S/C14H15F3O2/c1-13(2,3)19-12(18)9-11(14(15,16)17)10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9-
InChIKey QAVXQLYUHVIWLO-LUAWRHEFSA-N
Molecular Weight 272.267 g/mol
SMILES C(\C(=C/C(OC(C)(C)C)=O)C=1C=CC=CC1)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868569