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8-CARBOXYLATE-1-METHYL-3,13,16-TRITHIA-6,10,19-TRIAZABICYClO-[6.6.6]-ICOSAN-7-ONATO-(1-)-COBALT-(III)-BISPERCHLORATE
SpectraBase Compound ID IzXDnGSmBX7
InChI InChI=1S/C16H29N3O3S3.2ClHO4.Co/c1-15-10-23-5-2-17-8-16(14(21)22,9-18-3-6-24-11-15)13(20)19-4-7-25-12-15;2*2-1(3,4)5;/h17-18H,2-12H2,1H3,(H2,19,20,21,22);2*(H,2,3,4,5);/q;;;+6/p-3/t15-,16-;;;
InChIKey UILTUWYVTRSCQS-FTJJBQPZSA-K
Mol Weight 664.43 g/mol
Molecular Formula C16H28Cl2CoN3O11S3
Exact Mass 662.959497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3e1Iok5lnWt
Name 8-CARBOXYLATE-1-METHYL-3,13,16-TRITHIA-6,10,19-TRIAZABICYClO-[6.6.6]-ICOSAN-7-ONATO-(1-)-COBALT-(III)-BISPERCHLORATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28Cl2CoN3O11S3
InChI InChI=1S/C16H29N3O3S3.2ClHO4.Co/c1-15-10-23-5-2-17-8-16(14(21)22,9-18-3-6-24-11-15)13(20)19-4-7-25-12-15;2*2-1(3,4)5;/h17-18H,2-12H2,1H3,(H2,19,20,21,22);2*(H,2,3,4,5);/q;;;+6/p-3/t15-,16-;;;
InChIKey UILTUWYVTRSCQS-FTJJBQPZSA-K
Literature Reference Author P.A.LAY,J.LYDON,A.W.H.MAU,P.OSVATH,A.M.SARGESON,W.H.F.SASSE
Literature Reference Citation AUSTR.J.CHEM.,46,641(1993)
Literature Reference DOI 10.1071/ch9930641
Molecular Weight 664.431 g/mol
Solvent D2O
Source File Reference UWCS16242