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KVLLQDNCKXBRMG-IJSJSYPLSA-N

View entire compound with spectra: 1 NMR

KVLLQDNCKXBRMG-IJSJSYPLSA-N
SpectraBase Compound ID 5pQJVcIHKFf
InChI InChI=1S/C48H48Cl12N15O6P9S6/c1-70(82(49,50)91)61-31-37-7-19-43(20-8-37)76-88(77-44-21-9-38(10-22-44)32-62-71(2)83(51,52)92)67-89(78-45-23-11-39(12-24-45)33-63-72(3)84(53,54)93,79-46-25-13-40(14-26-46)34-64-73(4)85(55,56)94)69-90(68-88,80-47-27-15-41(16-28-47)35-65-74(5)86(57,58)95)81-48-29-17-42(18-30-48)36-66-75(6)87(59,60)96/h7-36H,1-6H3/b61-31+,62-32+,63-33+,64-34+,65-35+,66-36+
InChIKey KVLLQDNCKXBRMG-IJSJSYPLSA-N
Mol Weight 1827.6 g/mol
Molecular Formula C48H48Cl12N15O6P9S6
Exact Mass 1820.613717 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UBaxwafqKj
Name KVLLQDNCKXBRMG-IJSJSYPLSA-N
Compound Number 1-G1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H48Cl12N15O6P9S6
InChI InChI=1S/C48H48Cl12N15O6P9S6/c1-70(82(49,50)91)61-31-37-7-19-43(20-8-37)76-88(77-44-21-9-38(10-22-44)32-62-71(2)83(51,52)92)67-89(78-45-23-11-39(12-24-45)33-63-72(3)84(53,54)93,79-46-25-13-40(14-26-46)34-64-73(4)85(55,56)94)69-90(68-88,80-47-27-15-41(16-28-47)35-65-74(5)86(57,58)95)81-48-29-17-42(18-30-48)36-66-75(6)87(59,60)96/h7-36H,1-6H3/b61-31+,62-32+,63-33+,64-34+,65-35+,66-36+
InChIKey KVLLQDNCKXBRMG-IJSJSYPLSA-N
Literature Reference Author R.DELONCLE,Y.COPPEL,C.REBOUT,J.P.MAJORAL,A.M.CAMINADE
Literature Reference Citation MAGN.RES.CHEM.,46,493(2008)
Literature Reference DOI 10.1002/mrc.2203
Solvent THF-D8
Source File Reference UWIR17586