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(4Z)-5-(4-Trifluoromethoxyphenyl)-4-pentenenitrile

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

(4Z)-5-(4-Trifluoromethoxyphenyl)-4-pentenenitrile
SpectraBase Compound ID GoPa4KdHI6o
InChI InChI=1S/C12H10F3NO/c13-12(14,15)17-11-7-5-10(6-8-11)4-2-1-3-9-16/h2,4-8H,1,3H2/b4-2-
InChIKey XXCVDMKWSSDFEX-RQOWECAXSA-N
Mol Weight 241.21 g/mol
Molecular Formula C12H10F3NO
Exact Mass 241.071448 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C5EdEBxsPDT
Name (4Z)-5-(4-Trifluoromethoxyphenyl)-4-pentenenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.071448434 u
Formula C12H10F3NO
InChI InChI=1S/C12H10F3NO/c13-12(14,15)17-11-7-5-10(6-8-11)4-2-1-3-9-16/h2,4-8H,1,3H2/b4-2-
InChIKey XXCVDMKWSSDFEX-RQOWECAXSA-N
Molecular Weight 241.213 g/mol
SMILES C=1C=C(C=CC1OC(F)(F)F)\C=C/CCC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913101