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TOURNEFOLIC-ACID-B;3-(4,7,8-TRIHYDROXYDIBENZO-[B,F]-OXEPIN-1-YL)-ACRYLIC-ACID
SpectraBase Compound ID izMXe1t8mP
InChI InChI=1S/C17H12O6/c18-12-5-2-9(3-6-16(21)22)11-4-1-10-7-13(19)14(20)8-15(10)23-17(11)12/h1-8,18-20H,(H,21,22)/b6-3+
InChIKey QOUSSKPKMYDXFC-ZZXKWVIFSA-N
Mol Weight 312.28 g/mol
Molecular Formula C17H12O6
Exact Mass 312.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79xCegomtmy
Name TOURNEFOLIC-ACID-B;3-(4,7,8-TRIHYDROXYDIBENZO-[B,F]-OXEPIN-1-YL)-ACRYLIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12O6
InChI InChI=1S/C17H12O6/c18-12-5-2-9(3-6-16(21)22)11-4-1-10-7-13(19)14(20)8-15(10)23-17(11)12/h1-8,18-20H,(H,21,22)/b6-3+
InChIKey QOUSSKPKMYDXFC-ZZXKWVIFSA-N
Literature Reference Author Y.L.LIN,Y.Y.CHANG,Y.H.KUO,M.S.SHIAO
Literature Reference Citation J.NAT.PROD.,65,745(2002)
Literature Reference DOI 10.1021/np010538y
Molecular Weight 312.279 g/mol
Solvent DMSO-D6
Source File Reference UWSI4229