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1,4-Bis(1'-methylcyclohexyl)buta-1,3-diene

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

1,4-Bis(1'-methylcyclohexyl)buta-1,3-diene
SpectraBase Compound ID CXGTO937ohX
InChI InChI=1S/C18H30/c1-17(11-5-3-6-12-17)15-9-10-16-18(2)13-7-4-8-14-18/h9-10,15-16H,3-8,11-14H2,1-2H3/b15-9+,16-10+
InChIKey JORQMURLSYHOHL-KAVGSWPWSA-N
Mol Weight 246.44 g/mol
Molecular Formula C18H30
Exact Mass 246.234751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ls8MiWFpFAn
Name 1,4-bis(1'-Methylcyclohexyl)buta-1,3-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.234750966 u
Formula C18H30
InChI InChI=1S/C18H30/c1-17(11-5-3-6-12-17)15-9-10-16-18(2)13-7-4-8-14-18/h9-10,15-16H,3-8,11-14H2,1-2H3/b15-9+,16-10+
InChIKey JORQMURLSYHOHL-KAVGSWPWSA-N
Molecular Weight 246.438 g/mol
SMILES C1(\C=C\C=C\C2(C)CCCCC2)(C)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939186