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2-Hexenenitrile, 5-methyl-3-phenyl-, (E)-

View entire compound with spectra: 1 FTIR

2-Hexenenitrile, 5-methyl-3-phenyl-, (E)-
SpectraBase Compound ID 9PWdOBmOCO6
InChI InChI=1S/C13H15N/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h3-8,11H,10H2,1-2H3/b13-8+
InChIKey JQQYICNXYXWZIH-MDWZMJQESA-N
Mol Weight 185.27 g/mol
Molecular Formula C13H15N
Exact Mass 185.120449 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6PqGsV2cL3y
Name 2-Hexenenitrile, 5-methyl-3-phenyl-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 185.120449487 u
Formula C13H15N
InChI InChI=1S/C13H15N/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h3-8,11H,10H2,1-2H3/b13-8+
InChIKey JQQYICNXYXWZIH-MDWZMJQESA-N
Molecular Weight 185.270 g/mol
SMILES C1(=CC=CC=C1)\C(CC(C)C)=C\C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958219