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trans-1-Dimethylammonio-1-buten-3-one cation

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trans-1-Dimethylammonio-1-buten-3-one cation
SpectraBase Compound ID Hi1IG7WQb6n
InChI InChI=1S/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3/p+1/b5-4+
InChIKey QPWSKIGAQZAJKS-SNAWJCMRSA-O
Mol Weight 114.17 g/mol
Molecular Formula C6H12NO
Exact Mass 114.091889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4i5j0SY3fYm
Name trans-1-Dimethylammonio-1-buten-3-one cation
Comments S-CIS-ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H12NO
InChI InChI=1S/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3/p+1/b5-4+
InChIKey QPWSKIGAQZAJKS-SNAWJCMRSA-O
Instrument Name Bruker HX-90
Literature Reference L. Kozerski, Org. Magn. Resonance 9, 395 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH