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2,3,3-Trimethyl-1-butene

View entire compound with spectra: 11 NMR, 6 FTIR, 1 Raman, and 3 MS (GC)

2,3,3-Trimethyl-1-butene
SpectraBase Compound ID CihDA8hBtcY
InChI InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3
InChIKey AUYRUAVCWOAHQN-UHFFFAOYSA-N
Mol Weight 98.19 g/mol
Molecular Formula C7H14
Exact Mass 98.10955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65FdxOF5mR3
Name 2,3,3-Trimethyl-butene-1
CAS Registry Number 594-56-9
Comments COUPLING CONSTANTS FROM 2ND REF. A.W.DOUGLAS,ORG.MAGN.RESONANCE 9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C7H14
InChI InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3
InChIKey AUYRUAVCWOAHQN-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference P.A. Couperus, A.D. Clague, J.P. Van Dongen, Org. Magn. Resonance 8, 426 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3