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1,4-Dimethyl-2,5-dicyclohexylbenzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1,4-Dimethyl-2,5-dicyclohexylbenzene
SpectraBase Compound ID JJdDOj3AYCI
InChI InChI=1S/C20H30/c1-15-13-20(18-11-7-4-8-12-18)16(2)14-19(15)17-9-5-3-6-10-17/h13-14,17-18H,3-12H2,1-2H3
InChIKey UAISPGNSPLPAJE-UHFFFAOYSA-N
Mol Weight 270.46 g/mol
Molecular Formula C20H30
Exact Mass 270.234751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LCvSnFzdfZN
Name 1,4-Dimethyl-2,5-dicyclohexylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.234750966 u
Formula C20H30
InChI InChI=1S/C20H30/c1-15-13-20(18-11-7-4-8-12-18)16(2)14-19(15)17-9-5-3-6-10-17/h13-14,17-18H,3-12H2,1-2H3
InChIKey UAISPGNSPLPAJE-UHFFFAOYSA-N
Molecular Weight 270.460 g/mol
SMILES C1(=CC(=C(C=C1C)C1CCCCC1)C)C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809844