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E-1-AMINOPENT-1-EN-3-ONE
SpectraBase Compound ID GrqO92mzPYX
InChI InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h3-4H,2,6H2,1H3/b4-3+
InChIKey KZUBNLGUGZTIMZ-ONEGZZNKSA-N
Mol Weight 99.13 g/mol
Molecular Formula C5H9NO
Exact Mass 99.068414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lj87k2c8vIZ
Name trans-1-Amino-1-penten-3-one
CAS Registry Number 50874-60-7
Comments EQUILIBRIUM MIXTURE WITH CIS-ISOMER 25.8 PPM FOR C5 MUST BE IN ERROR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H9NO
InChI InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h3-4H,2,6H2,1H3/b4-3+
InChIKey KZUBNLGUGZTIMZ-ONEGZZNKSA-N
Instrument Name Jeol 4H-100
Literature Reference L. Kozerski, J. Dabrowski, Org. Magn. Resonance 5, 459 (1973).
NMR Standard Cyclohexane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid