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FUMARPROTOCETRARIC_ACID
SpectraBase Compound ID 4chlTQRwpjv
InChI InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+
InChIKey VEGGRTFDFMUBPD-ONEGZZNKSA-N
Mol Weight 472.36 g/mol
Molecular Formula C22H16O12
Exact Mass 472.064176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QM2lIBKhJU
Name FUMARPROTOCETRARIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16O12
InChI InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+
InChIKey VEGGRTFDFMUBPD-ONEGZZNKSA-N
Literature Reference Author B.N.SU,M.CUENDET,D.NIKOLIC,H.KRISTINSSON,K.INGOLFSDOTTIR,R.B .V.BREEMEN,H.H.S.FON
Literature Reference Citation MAGN.RES.CHEM.,41,391(2003)
Literature Reference DOI 10.1002/mrc.1181
Molecular Weight 472.362 g/mol
Solvent DMSO-D6
Source File Reference UWMZ19986