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

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

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-(4-tolyl)butane
SpectraBase Compound ID KIW8Q3Uvhto
InChI InChI=1S/C20H30/c1-15-8-11-18(12-9-15)16(2)10-13-19-17(3)7-6-14-20(19,4)5/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3
InChIKey JGMCKHITARSVNJ-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 GAMuAJsWbFT
Name 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-(4-tolyl)butane
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/c1-15-8-11-18(12-9-15)16(2)10-13-19-17(3)7-6-14-20(19,4)5/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3
InChIKey JGMCKHITARSVNJ-UHFFFAOYSA-N
Molecular Weight 270.460 g/mol
SMILES C1(=C(CCCC1(C)C)C)CCC(C1=CC=C(C=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962873