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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 IJWWcs8Npgo
Name MESACONIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author E.LIPPMAA,T.PEHK,K.ANDERSSON,C.RAPPE
Literature Reference Citation ORG.MAGN.RES.,2,109(1970)
Literature Reference DOI 10.1002/mrc.1270020204
Molecular Weight 130.100 g/mol
Solvent DMSO
Source File Reference UNIW10092