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HEMIFISTULARIN-3

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HEMIFISTULARIN-3
SpectraBase Compound ID HvqVvqJJ1gZ
InChI InChI=1S/C18H16Br4N2O6/c1-29-15-10(21)4-18(16(27)13(15)22)5-11(24-30-18)17(28)23-6-12(25)7-2-8(19)14(26)9(20)3-7/h2-4,12,16,25-27H,5-6H2,1H3,(H,23,28)/t12?,16-,18+/m1/s1
InChIKey CEOWCDRCPWSIPW-YZCZPWFXSA-N
Mol Weight 675.95 g/mol
Molecular Formula C18H16Br4N2O6
Exact Mass 671.774188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ExTObfnmKb
Name HEMIFISTULARIN-3
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16Br4N2O6
InChI InChI=1S/C18H16Br4N2O6/c1-29-15-10(21)4-18(16(27)13(15)22)5-11(24-30-18)17(28)23-6-12(25)7-2-8(19)14(26)9(20)3-7/h2-4,12,16,25-27H,5-6H2,1H3,(H,23,28)/t12?,16-,18+/m1/s1
InChIKey CEOWCDRCPWSIPW-YZCZPWFXSA-N
Literature Reference Author I.MANCINI,G.GUELLA,P.LABOUTE,C.DEBITUS,F.PIETRA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3121(1993)
Literature Reference DOI 10.1039/p19930003121
Molecular Weight 675.951 g/mol
Solvent ACETONE-D6
Source File Reference UWRU3567