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Itaconic acid
SpectraBase Compound ID IgyZTrCTyAa
InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKey LVHBHZANLOWSRM-UHFFFAOYSA-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 67yckGk1i75
Name 2-Methylene-succinic acid
CAS Registry Number 97-65-4
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/h1-2H2,(H,6,7)(H,8,9)
InChIKey LVHBHZANLOWSRM-UHFFFAOYSA-N
Instrument Name Bruker WH-90
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6