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1-[2,2-bis(4-Methylphenyl)ethyl]-1-chloro-cyclohexane

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

1-[2,2-bis(4-Methylphenyl)ethyl]-1-chloro-cyclohexane
SpectraBase Compound ID 4tcmoZm6fa2
InChI InChI=1S/C22H27Cl/c1-17-6-10-19(11-7-17)21(20-12-8-18(2)9-13-20)16-22(23)14-4-3-5-15-22/h6-13,21H,3-5,14-16H2,1-2H3
InChIKey DTUKLAKVLPKUKB-UHFFFAOYSA-N
Mol Weight 326.91 g/mol
Molecular Formula C22H27Cl
Exact Mass 326.180129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HJJ2Elv4bPN
Name 1-[2,2-bis(4-Methylphenyl)ethyl]-1-chloro-cyclohexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.180128569 u
Formula C22H27Cl
InChI InChI=1S/C22H27Cl/c1-17-6-10-19(11-7-17)21(20-12-8-18(2)9-13-20)16-22(23)14-4-3-5-15-22/h6-13,21H,3-5,14-16H2,1-2H3
InChIKey DTUKLAKVLPKUKB-UHFFFAOYSA-N
Molecular Weight 326.911 g/mol
SMILES C(C1=CC=C(C=C1)C)(C=1C=CC(=CC1)C)CC1(Cl)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921428