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(E)-2-methylidene-3-oxidanyl-5-phenyl-pent-4-enenitrile

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

(E)-2-methylidene-3-oxidanyl-5-phenyl-pent-4-enenitrile
SpectraBase Compound ID I2XGiCK1vaU
InChI InChI=1S/C12H11NO/c1-10(9-13)12(14)8-7-11-5-3-2-4-6-11/h2-8,12,14H,1H2/b8-7+
InChIKey CIZBLECOQDZYJE-BQYQJAHWSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EMhDOTxXssl
Name (E)-2-Methylidene-3-oxidanyl-5-phenyl-pent-4-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 185.084063977 u
Formula C12H11NO
InChI InChI=1S/C12H11NO/c1-10(9-13)12(14)8-7-11-5-3-2-4-6-11/h2-8,12,14H,1H2/b8-7+
InChIKey CIZBLECOQDZYJE-BQYQJAHWSA-N
Molecular Weight 185.226 g/mol
SMILES C(C#N)(C(\C=C\C=1C=CC=CC1)O)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87028