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TRANS-HALOFUGINONE

View entire compound with spectra: 2 NMR

TRANS-HALOFUGINONE
SpectraBase Compound ID ATSIAU1rMDY
InChI InChI=1S/C16H17BrClN3O3/c17-11-5-10-13(6-12(11)18)20-8-21(16(10)24)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
InChIKey JUEGMRXQYQHMFQ-CABCVRRESA-N
Mol Weight 414.69 g/mol
Molecular Formula C16H17BrClN3O3
Exact Mass 413.014182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlRitSyZSHS
Name TRANS-HALOFUGINONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17BrClN3O3
InChI InChI=1S/C16H17BrClN3O3/c17-11-5-10-13(6-12(11)18)20-8-21(16(10)24)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
InChIKey JUEGMRXQYQHMFQ-CABCVRRESA-N
Literature Reference Author S.UESATO,Y.KURODA,M.KATO,Y.FUJIWARA,Y.HASE,T.FUJITA
Literature Reference Citation CHEM.PHARM.BULL.,46,1(1998)
Literature Reference DOI 10.1248/cpb.46.1
Molecular Weight 414.686 g/mol
Solvent Unknown
Source File Reference UWMS6105