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CIS-HALOFUGINONE

View entire compound with spectra: 1 NMR

CIS-HALOFUGINONE
SpectraBase Compound ID GzLXuAAKaDY
InChI InChI=1S/C16H17BrClN3O3/c17-10-4-9-12(5-11(10)18)20-8-21(15(9)22)7-16(23)6-13-14(24-16)2-1-3-19-13/h4-5,8,13-14,19,23H,1-3,6-7H2/t13-,14-,16-/m1/s1
InChIKey QXDBONVVXKCYJW-IIAWOOMASA-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 L9VTSF92jcX
Name CIS-HALOFUGINONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17BrClN3O3
InChI InChI=1S/C16H17BrClN3O3/c17-10-4-9-12(5-11(10)18)20-8-21(15(9)22)7-16(23)6-13-14(24-16)2-1-3-19-13/h4-5,8,13-14,19,23H,1-3,6-7H2/t13-,14-,16-/m1/s1
InChIKey QXDBONVVXKCYJW-IIAWOOMASA-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 CDCl3
Source File Reference UWMS6103