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Mesaconic acid
SpectraBase Compound ID IK0OJZFAWne
InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChIKey HNEGQIOMVPPMNR-NSCUHMNNSA-N
Mol Weight 130.1 g/mol
Molecular Formula C5H6O4
Exact Mass 130.026609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcicaTiTGe1
Name Mesaconic acid
CAS Registry Number 498-24-8
Comments COUPLING CONSTANTS FROM 2ND REFERENCE REASSIGNED (A.H.) C.A.KINGSBURY,D.D
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H6O4
InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChIKey HNEGQIOMVPPMNR-NSCUHMNNSA-N
Instrument Name Special
Literature Reference E. Lippmaa, T. Pehk, K. Andersson, Org. Magn. Resonance 2, 109 (1970).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6