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1-(4-Cl-5-([tmset-N-me-carbamato]-3-anisyl)-2,10,12-trime-6-methoxy-7,7-di(S-ethyl)-9-eeo-11,12-epoxy-13-(tmms)-2,4-tri
SpectraBase Compound ID 8KvNWzsutOv
InChI InChI=1S/C45H80ClNO8S2Si2/c1-19-51-34(6)54-38(33(5)41-44(10,55-41)31-53-59(17,18)43(7,8)9)30-45(56-20-2,57-21-3)39(50-13)24-22-23-32(4)27-35-28-36(40(46)37(29-35)49-12)47(11)42(48)52-25-26-58(14,15)16/h22-24,28-29,33-34,38-39,41H,19-21,25-27,30-31H2,1-18H3/b24-22+,32-23+
InChIKey VQRJQODYTCSONH-WJXHMBNDSA-N
Mol Weight 918.9 g/mol
Molecular Formula C45H80ClNO8S2Si2
Exact Mass 917.455242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CXoJgSTDPF
Name 1-(4-Cl-5-([tmset-N-me-carbamato]-3-anisyl)-2,10,12-trime-6-methoxy-7,7-di(S-ethyl)-9-eeo-11,12-epoxy-13-(tmms)-2,4-tri
CAS Registry Number 86116-97-4
Comments TMSET:2-TRIMETHYLSILYL-ETHYL,ME:METHYL,EEO:1-ETHOXY-ETHOXY TMMS:T-BUTYL-DIMETHYL-SILOXY,CL:CHLORO,TRIME:TRIMETHYL
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Formula C45H80ClNO8S2Si2
InChI InChI=1S/C45H80ClNO8S2Si2/c1-19-51-34(6)54-38(33(5)41-44(10,55-41)31-53-59(17,18)43(7,8)9)30-45(56-20-2,57-21-3)39(50-13)24-22-23-32(4)27-35-28-36(40(46)37(29-35)49-12)47(11)42(48)52-25-26-58(14,15)16/h22-24,28-29,33-34,38-39,41H,19-21,25-27,30-31H2,1-18H3/b24-22+,32-23+
InChIKey VQRJQODYTCSONH-WJXHMBNDSA-N
Literature Reference A.I. Meyers, K.A. Babiak, A.L. Campbell, J. Am. Chem. Soc. 105, 5015 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3