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2-(2-Chlorobenzylidene)cyclohexanone

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(2-Chlorobenzylidene)cyclohexanone
SpectraBase Compound ID 9vaj7OU7mBg
InChI InChI=1S/C13H13ClO/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3,5,7,9H,2,4,6,8H2/b11-9+
InChIKey VHOKJFKVMITNLR-PKNBQFBNSA-N
Mol Weight 220.7 g/mol
Molecular Formula C13H13ClO
Exact Mass 220.065493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DAofw6ujx2L
Name 2-(2-Chlorobenzylidene)cyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.065492738 u
Formula C13H13ClO
InChI InChI=1S/C13H13ClO/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3,5,7,9H,2,4,6,8H2/b11-9+
InChIKey VHOKJFKVMITNLR-PKNBQFBNSA-N
Molecular Weight 220.699 g/mol
SMILES C1(=O)\C(CCCC1)=C\C=1C(Cl)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800666