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Isobromodeoxy-topsentin

View entire compound with spectra: 1 NMR

Isobromodeoxy-topsentin
SpectraBase Compound ID DGImOEf56Aq
InChI InChI=1S/C20H13BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19(26)20-24-10-18(25-20)14-8-22-16-4-2-1-3-12(14)16/h1-10,22-23H,(H,24,25)
InChIKey BEDNSRVQPOJNPU-UHFFFAOYSA-N
Mol Weight 405.26 g/mol
Molecular Formula C20H13BrN4O
Exact Mass 404.027274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdK1A6QyY9U
Name ISOBrOMODEOXYTOPSENTIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13BrN4O
InChI InChI=1S/C20H13BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19(26)20-24-10-18(25-20)14-8-22-16-4-2-1-3-12(14)16/h1-10,22-23H,(H,24,25)
InChIKey BEDNSRVQPOJNPU-UHFFFAOYSA-N
Literature Reference Author J.SHIN,Y.SEO,K.W.CHO,J.R.RHO,C.J.SIM
Literature Reference Citation J.NAT.PROD.,62,647(1999)
Literature Reference DOI 10.1021/np980507b
Molecular Weight 405.253 g/mol
Solvent DMSO-D6
Source File Reference UWGE1011