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alpha-CROTONIC ACID

View entire compound with spectra: 25 NMR, 11 FTIR, 2 Raman, and 22 MS (GC)

alpha-CROTONIC ACID
SpectraBase Compound ID JueQdcOcQiD
InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChIKey LDHQCZJRKDOVOX-NSCUHMNNSA-N
Mol Weight 86.09 g/mol
Molecular Formula C4H6O2
Exact Mass 86.036779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xSgQHvmuBU
Name CROTONIC-ACID
CAS Registry Number 3724-65-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H6O2
InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChIKey LDHQCZJRKDOVOX-NSCUHMNNSA-N
Literature Reference Author S.NAGARAJAN,S.R.WILSON,K.L.RINEHART
Literature Reference Citation J.ORG.CHEM.,50,2174(1985)
Literature Reference DOI 10.1021/jo00212a035
Molecular Weight 86.090 g/mol
Solvent DMSO-D6
Source File Reference UWCS4745