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2,2-Dimethyl-7-[4'-methylphenylsulfonamido]-4,5-bis(benzoyloxy)-6-[2"-(trimethylsilyl)-1"-ethynyl]-perhydro-1,3-benzodioxole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,2-Dimethyl-7-[4'-methylphenylsulfonamido]-4,5-bis(benzoyloxy)-6-[2"-(trimethylsilyl)-1"-ethynyl]-perhydro-1,3-benzodioxole
SpectraBase Compound ID 9NGGzSuoOrF
InChI InChI=1S/C35H39NO8SSi/c1-23-17-19-26(20-18-23)45(39,40)36-28-27(21-22-46(4,5)6)29(41-33(37)24-13-9-7-10-14-24)31(32-30(28)43-35(2,3)44-32)42-34(38)25-15-11-8-12-16-25/h7-20,27-32,36H,1-6H3/t27-,28?,29?,30+,31?,32+/m1/s1
InChIKey WKCWDSXQXIQSJL-GZMCVGLQSA-N
Mol Weight 661.8 g/mol
Molecular Formula C35H39NO8SSi
Exact Mass 661.216565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dp0402JreZ
Name 2,2-Dimethyl-7-[4'-methylphenylsulfonamido]-4,5-bis(benzoyloxy)-6-[2''-(trimethylsilyl)-1''-ethynyl]-perhydro-1,3-benzodioxole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 661.216564921 u
Formula C35H39NO8SSi
InChI InChI=1S/C35H39NO8SSi/c1-23-17-19-26(20-18-23)45(39,40)36-28-27(21-22-46(4,5)6)29(41-33(37)24-13-9-7-10-14-24)31(32-30(28)43-35(2,3)44-32)42-34(38)25-15-11-8-12-16-25/h7-20,27-32,36H,1-6H3/t27-,28?,29?,30+,31?,32+/m1/s1
InChIKey WKCWDSXQXIQSJL-GZMCVGLQSA-N
Molecular Weight 661.841 g/mol
SMILES C1(NS(C=2C=CC(=CC2)C)(=O)=O)[C@]2([C@](OC(O2)(C)C)(C(C([C@@]1(C#C[Si](C)(C)C)[H])OC(=O)C=1C=CC=CC1)OC(=O)C1=CC=CC=C1)[H])[H]