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2-Cyano-3,3-diphenylcyclopentanone

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

2-Cyano-3,3-diphenylcyclopentanone
SpectraBase Compound ID 2YhowjBW9LT
InChI InChI=1S/C18H15NO/c19-13-16-17(20)11-12-18(16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-12H2
InChIKey MSNQSZUIXZHZPK-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C18H15NO
Exact Mass 261.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3cQAJVTNYcc
Name 2-Cyano-3,3-diphenylcyclopentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.115364106 u
Formula C18H15NO
InChI InChI=1S/C18H15NO/c19-13-16-17(20)11-12-18(16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-12H2
InChIKey MSNQSZUIXZHZPK-UHFFFAOYSA-N
Molecular Weight 261.324 g/mol
SMILES C1(C(C#N)C(=O)CC1)(C1=CC=CC=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909628