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3-Carbamoyl-6-methyl-hepta-3,5-dienoic acid

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3-Carbamoyl-6-methyl-hepta-3,5-dienoic acid
SpectraBase Compound ID 2TJvZgjMnjz
InChI InChI=1S/C9H13NO3/c1-6(2)3-4-7(9(10)13)5-8(11)12/h3-4H,5H2,1-2H3,(H2,10,13)(H,11,12)/b7-4+
InChIKey PYFADYZWJJTXEG-QPJJXVBHSA-N
Mol Weight 183.21 g/mol
Molecular Formula C9H13NO3
Exact Mass 183.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IetzDyKIC6o
Name 3-Carbamoyl-6-methyl-hepta-3,5-dienoic acid
CAS Registry Number 59463-25-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13NO3
InChI InChI=1S/C9H13NO3/c1-6(2)3-4-7(9(10)13)5-8(11)12/h3-4H,5H2,1-2H3,(H2,10,13)(H,11,12)/b7-4+
InChIKey PYFADYZWJJTXEG-QPJJXVBHSA-N
Instrument Name Bruker HX-90
Literature Reference J.K. Stille, T.A. Rettig, E.W. Kuemmerle, J. Org. Chem. 41, 2950 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6