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1,2,4-Trimethylcyclohexane

View entire compound with spectra: 19 NMR, 3 FTIR, 6 MS (GC), and 2 Near IR

1,2,4-Trimethylcyclohexane
SpectraBase Compound ID 4wDJer2vP9w
InChI InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3
InChIKey VCJPCEVERINRSG-UHFFFAOYSA-N
Mol Weight 126.24 g/mol
Molecular Formula C9H18
Exact Mass 126.140851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lv9D4EqdT3
Name 1-cis-2-cis-4-Trimethyl-cyclohexane
CAS Registry Number 1678-80-4
Comments A-E-E-CONFIGURATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18
InChI InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3
InChIKey VCJPCEVERINRSG-UHFFFAOYSA-N
Instrument Name Special
Literature Reference D.K. Dalling, D.M. Grant, J. Am. Chem. Soc. 94, 5318 (1972).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid