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1-Acetyl-2-benzylidene-3-oxo-5-phenylcyclopentanecarbonitrile

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

1-Acetyl-2-benzylidene-3-oxo-5-phenylcyclopentanecarbonitrile
SpectraBase Compound ID 3gkpyCwIZ1L
InChI InChI=1S/C21H17NO2/c1-15(23)21(14-22)18(17-10-6-3-7-11-17)13-20(24)19(21)12-16-8-4-2-5-9-16/h2-12,18H,13H2,1H3/b19-12+
InChIKey ONUFIIGDNCDIBB-XDHOZWIPSA-N
Mol Weight 315.37 g/mol
Molecular Formula C21H17NO2
Exact Mass 315.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 973gsryWVyd
Name 1-Acetyl-2-benzylidene-3-oxo-5-phenylcyclopentanecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.125928789 u
Formula C21H17NO2
InChI InChI=1S/C21H17NO2/c1-15(23)21(14-22)18(17-10-6-3-7-11-17)13-20(24)19(21)12-16-8-4-2-5-9-16/h2-12,18H,13H2,1H3/b19-12+
InChIKey ONUFIIGDNCDIBB-XDHOZWIPSA-N
SMILES C1(\C(C(=O)CC1C=1C=CC=CC1)=C\C1=CC=CC=C1)(C#N)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875714