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NQBPNNBFMBJPLW-HJTNQMAYSA-N

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NQBPNNBFMBJPLW-HJTNQMAYSA-N
SpectraBase Compound ID CvWfyvZCwFF
InChI InChI=1S/C22H24Br2N4O6S3/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-37-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17-,28-18-
InChIKey NQBPNNBFMBJPLW-HJTNQMAYSA-N
Mol Weight 696.44 g/mol
Molecular Formula C22H24Br2N4O6S3
Exact Mass 693.922474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lr0fZkRWsQj
Name NQBPNNBFMBJPLW-HJTNQMAYSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22Br2N4O6S3
InChI InChI=1S/C22H24Br2N4O6S3/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-37-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17-,28-18-
InChIKey NQBPNNBFMBJPLW-HJTNQMAYSA-N
Literature Reference Author Y.PARK,Y.LIU,J.HONG,C.O.LEE,H.CHO,D.K.KIM,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,66,1495(2003)
Literature Reference DOI 10.1021/np030162j
Molecular Weight 694.428 g/mol
Solvent CD3OD
Source File Reference UWKP3106