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NEOTRICONE
SpectraBase Compound ID G2J6GBxxTUo
InChI InChI=1S/C18H12O9/c1-5-3-8(19)11(16(21)22)15-9(5)18(24)27-13-6(2)12(20)10-7(14(13)26-15)4-25-17(10)23/h3,19-20H,4H2,1-2H3,(H,21,22)
InChIKey MVANNUHXKUVXCX-UHFFFAOYSA-N
Mol Weight 372.29 g/mol
Molecular Formula C18H12O9
Exact Mass 372.048132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fBdJ5hFCd7
Name NEOTRICONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12O9
InChI InChI=1S/C18H12O9/c1-5-3-8(19)11(16(21)22)15-9(5)18(24)27-13-6(2)12(20)10-7(14(13)26-15)4-25-17(10)23/h3,19-20H,4H2,1-2H3,(H,21,22)
InChIKey MVANNUHXKUVXCX-UHFFFAOYSA-N
Literature Reference Author J.A.ELIX,K.KALB,J.H.WARDLAW
Literature Reference Citation AUSTR.J.CHEM.,56,315(2003)
Literature Reference DOI 10.1071/CH02194
Molecular Weight 372.288 g/mol
Solvent DMSO-D6
Source File Reference UWKP3355