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4-[3-(4-Cyanophenyl)-2-oxiranyl]benzonitrile

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

4-[3-(4-Cyanophenyl)-2-oxiranyl]benzonitrile
SpectraBase Compound ID FIFluX5e1M2
InChI InChI=1S/C16H10N2O/c17-9-11-1-5-13(6-2-11)15-16(19-15)14-7-3-12(10-18)4-8-14/h1-8,15-16H
InChIKey YEMJHBWHZALWPH-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C16H10N2O
Exact Mass 246.079313 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A1nQeJufyxl
Name 4-[3-(4-Cyanophenyl)-2-oxiranyl]benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.079312949 u
Formula C16H10N2O
InChI InChI=1S/C16H10N2O/c17-9-11-1-5-13(6-2-11)15-16(19-15)14-7-3-12(10-18)4-8-14/h1-8,15-16H
InChIKey YEMJHBWHZALWPH-UHFFFAOYSA-N
Molecular Weight 246.269 g/mol
SMILES C1(OC1C1=CC=C(C#N)C=C1)C1=CC=C(C#N)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906693