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1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-(1,4-cyclohexadien-1-yl)butane

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

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-(1,4-cyclohexadien-1-yl)butane
SpectraBase Compound ID 4DNnXMsTGgU
InChI InChI=1S/C19H30/c1-15(17-10-6-5-7-11-17)12-13-18-16(2)9-8-14-19(18,3)4/h5-6,11,15H,7-10,12-14H2,1-4H3
InChIKey KHTWYECNZUIVDP-UHFFFAOYSA-N
Mol Weight 258.45 g/mol
Molecular Formula C19H30
Exact Mass 258.234751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ClZlayJtrsk
Name 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-(1,4-cyclohexadien-1-yl)butane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.234750966 u
Formula C19H30
InChI InChI=1S/C19H30/c1-15(17-10-6-5-7-11-17)12-13-18-16(2)9-8-14-19(18,3)4/h5-6,11,15H,7-10,12-14H2,1-4H3
InChIKey KHTWYECNZUIVDP-UHFFFAOYSA-N
Molecular Weight 258.449 g/mol
SMILES C1(=C(CCCC1(C)C)C)CCC(C1=CCC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944639