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2-Chloro-1,6-diphenylhexane

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

2-Chloro-1,6-diphenylhexane
SpectraBase Compound ID CUkmarhRj3W
InChI InChI=1S/C18H21Cl/c19-18(15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,18H,7-8,11,14-15H2
InChIKey GAXIXGYZLSVGTM-UHFFFAOYSA-N
Mol Weight 272.82 g/mol
Molecular Formula C18H21Cl
Exact Mass 272.133178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JstlACZpsfS
Name 2-Chloro-1,6-diphenylhexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.133178376 u
Formula C18H21Cl
InChI InChI=1S/C18H21Cl/c19-18(15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,18H,7-8,11,14-15H2
InChIKey GAXIXGYZLSVGTM-UHFFFAOYSA-N
Molecular Weight 272.819 g/mol
SMILES C(C(CCCCC=1C=CC=CC1)Cl)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950586