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FZQMZRXKWHQJAG-VOTSOKGWSA-N
SpectraBase Compound ID LQSsVfjMOpA
InChI InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3/b7-6+
InChIKey FZQMZRXKWHQJAG-VOTSOKGWSA-N
Mol Weight 112.22 g/mol
Molecular Formula C8H16
Exact Mass 112.125201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYJXmJZpoGR
Name trans-3,4,4-Trimethyl-2-pentene
CAS Registry Number 39761-57-4
Comments ASSIGNMENT AS TRANS-ISOMER TENTATIVE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H16
InChI InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3/b7-6+
InChIKey FZQMZRXKWHQJAG-VOTSOKGWSA-N
Instrument Name Varian HA-100
Literature Reference J.W. De Haan, L.J. Van De Ven, Org. Magn. Resonance 5, 147 (1973).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid