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3-[3,4-(METHYLENEDIOXY)PHENYL]-2-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)ACRYLONITRILE

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

3-[3,4-(METHYLENEDIOXY)PHENYL]-2-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)ACRYLONITRILE
SpectraBase Compound ID 4FIKCIf7Tly
InChI InChI=1S/C17H10F3NO2/c18-17(19,20)14-3-1-2-12(8-14)13(9-21)6-11-4-5-15-16(7-11)23-10-22-15/h1-8H,10H2
InChIKey CFYCHUQXHAEIIL-UHFFFAOYSA-N
Mol Weight 317.27 g/mol
Molecular Formula C17H10F3NO2
Exact Mass 317.066363 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID buSeOAw3WZ
Name 3-[3,4-(Methylenedioxy)phenyl]-2-(A,A,A-trifluoro-m-tolyl)acrylonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.066363053 u
Formula C17H10F3NO2
InChI InChI=1S/C17H10F3NO2/c18-17(19,20)14-3-1-2-12(8-14)13(9-21)6-11-4-5-15-16(7-11)23-10-22-15/h1-8H,10H2
InChIKey CFYCHUQXHAEIIL-UHFFFAOYSA-N
Molecular Weight 317.267 g/mol
SMILES C(F)(F)(F)C=1C=CC=C(C1)C(=CC=1C=C2C(=CC1)OCO2)C#N
Spectrum/Structure Validation Score (Raman) 0.902808