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BENGAZOLE-D4

View entire compound with spectra: 1 NMR

BENGAZOLE-D4
SpectraBase Compound ID 94woU0ePFoR
InChI InChI=1S/C28H46N2O7/c1-20(2)13-11-9-7-5-4-6-8-10-12-14-27(33)37-25(28(34)21(3)31)16-24(32)23-18-35-26(30-23)15-22-17-29-19-36-22/h17-21,24-25,28,31-32,34H,4-16H2,1-3H3/t21-,24+,25-,28-/m0/s1
InChIKey HOKRBQBTLOTRNR-VHOQWXFLSA-N
Mol Weight 522.7 g/mol
Molecular Formula C28H46N2O7
Exact Mass 522.330502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C42OXtoinzg
Name BENGAZOLE-D4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46N2O7
InChI InChI=1S/C28H46N2O7/c1-20(2)13-11-9-7-5-4-6-8-10-12-14-27(33)37-25(28(34)21(3)31)16-24(32)23-18-35-26(30-23)15-22-17-29-19-36-22/h17-21,24-25,28,31-32,34H,4-16H2,1-3H3/t21-,24+,25-,28-/m0/s1
InChIKey HOKRBQBTLOTRNR-VHOQWXFLSA-N
Literature Reference Author J.RODRIGUEZ,R.M.NIETO,P.CREWS
Literature Reference Citation J.NAT.PROD.,56,2034(1993)
Literature Reference DOI 10.1021/np50102a002
Molecular Weight 522.682 g/mol
Solvent CD3OD
Source File Reference UWCS5782