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3,4-DIMETHYLHEXAN

View entire compound with spectra: 35 NMR, 2 FTIR, 1 Raman, and 4 MS (GC)

3,4-DIMETHYLHEXAN
SpectraBase Compound ID CgiepoaJZz8
InChI InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey RNTWWGNZUXGTAX-UHFFFAOYSA-N
Mol Weight 114.23 g/mol
Molecular Formula C8H18
Exact Mass 114.140851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgPtEcbfyq
Name (R,S)-3,4-Dimethyl-hexane
CAS Registry Number 52949-33-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H18
InChI InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey RNTWWGNZUXGTAX-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference W.R. Roth, H.W. Lennartz, W. Van Doering, J. Am. Chem. Soc. 110, 1883 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3