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1-(MES(CH2)3CH[P(O)(OET)2]2)-7-(ME2S)B12H10

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1-(MES(CH2)3CH[P(O)(OET)2]2)-7-(ME2S)B12H10
SpectraBase Compound ID 6UaCFC4sTQU
InChI InChI=1S/C15H36B12O6P2S2/c1-8-30-34(28,31-9-2)15(35(29,32-10-3)33-11-4)13-12-14-37(7)27-21-17-18(21)16-19(17)22(17,21,27)24(19,27)25(27)20(16,18,23(18,21,25)27)26(19,24,25)36(5)6/h15H,8-14H2,1-7H3
InChIKey MTXJJBFZRFGLLR-UHFFFAOYSA-N
Mol Weight 568 g/mol
Molecular Formula C15H36B12O6P2S2
Exact Mass 570.254517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JcNbi5cGAV
Name 1-(MES(CH2)3CH[P(O)(OET)2]2)-7-(ME2S)B12H10
Compound Number 14H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H36B12O6P2S2
InChI InChI=1S/C15H36B12O6P2S2/c1-8-30-34(28,31-9-2)15(35(29,32-10-3)33-11-4)13-12-14-37(7)27-21-17-18(21)16-19(17)22(17,21,27)24(19,27)25(27)20(16,18,23(18,21,25)27)26(19,24,25)36(5)6/h15H,8-14H2,1-7H3
InChIKey MTXJJBFZRFGLLR-UHFFFAOYSA-N
Literature Reference Author R.G.KULTYSHEV,J.LIU,S.LIU,W.TJARKS,A.H.SOLOWAY,S.G.SHORE
Literature Reference Citation J.AM.CHEM.SOC.,124,2614(2002)
Literature Reference DOI 10.1021/ja0123857
Molecular Weight 568.235 g/mol
Sample ID 48595
Solvent CDCl3