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NFRKFSXGUUAZLQ-YNWKTAEDSA-O

View entire compound with spectra: 1 NMR

NFRKFSXGUUAZLQ-YNWKTAEDSA-O
SpectraBase Compound ID Bcit69yD7kq
InChI InChI=1S/C37H29Cl2N5O9/c1-49-36(48)30-28(52-34(46)21-14-7-3-8-15-21)27(51-33(45)20-12-5-2-6-13-20)29(53-35(47)22-16-9-4-10-17-22)32(50-30)44-37(41)42-31(40)26(43-44)23-18-11-19-24(38)25(23)39/h2-19,27-30,32H,1H3,(H3,40,41,42)/p+1/t27-,28-,29+,30-,32?/m1/s1
InChIKey NFRKFSXGUUAZLQ-YNWKTAEDSA-O
Mol Weight 759.6 g/mol
Molecular Formula C37H30Cl2N5O9
Exact Mass 758.142058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5ueFkKfiZ9
Name NFRKFSXGUUAZLQ-YNWKTAEDSA-O
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30Cl2N5O9
InChI InChI=1S/C37H29Cl2N5O9/c1-49-36(48)30-28(52-34(46)21-14-7-3-8-15-21)27(51-33(45)20-12-5-2-6-13-20)29(53-35(47)22-16-9-4-10-17-22)32(50-30)44-37(41)42-31(40)26(43-44)23-18-11-19-24(38)25(23)39/h2-19,27-30,32H,1H3,(H3,40,41,42)/p+1/t27-,28-,29+,30-,32?/m1/s1
InChIKey NFRKFSXGUUAZLQ-YNWKTAEDSA-O
Literature Reference Author A.M.ESMURZIEV,A.REIMERS,T.ANDREASSEN,N.SIMIC,E.SUNDBY,B.H.HO FF
Literature Reference Citation MOLECULES,17,820(2012)
Literature Reference DOI 10.3390/molecules17010820
Molecular Weight 759.579 g/mol
Sample ID 73018
Solvent DMSO-D6