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1,3-Butadiene

View entire compound with spectra: 17 NMR, 4 FTIR, and 11 MS (GC)

1,3-Butadiene
SpectraBase Compound ID IuANmE8bnRP
InChI InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChIKey KAKZBPTYRLMSJV-UHFFFAOYSA-N
Mol Weight 54.09 g/mol
Molecular Formula C4H6
Exact Mass 54.04695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gTeCAXjeCe
Name 1,3-Butadiene
CAS Registry Number 106-99-0
Comments FROM DORMAN COUPLING CONSTANTS FROM 2ND REFERENCE K.BACHMANN,W.VON PHILIPSBORN,ORG.MAGN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H6
InChI InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChIKey KAKZBPTYRLMSJV-UHFFFAOYSA-N
Literature Reference D.E. Dorman, M. Jautelat, J.D. Roberts, J. Org. Chem. 36, 2757 (1971).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Cyclohexane