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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuGALrbke57
Name 2,2-Dimethyl-7-[4'-methylphenylsulfonamido]-4,5-bis(benzoyloxy)-6-[2"-(trimethylsilyl)-1"-ethynyl]-perhydro-1,3-benzodioxole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C1[C@]2([C@](OC(O2)(C)C)(C(C([C@@]1(C#C[Si](C)(C)C)[H])OC(=O)c1ccccc1)OC(=O)c1ccccc1)[H])[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-5910000000-8d74e20954073a7e7fa8
Source of Spectrum AH-84-1331-40
Wiley ID 1584809