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2-Benzyloxy-3-(tert-butyldimethylsiloxy)-6-ethynyl-5-[1,2-(methylenedioxy)benzylamino]cyclohexane isomer
SpectraBase Compound ID 7pO7RqVnDKx
InChI InChI=1S/C29H39NO4Si/c1-7-23-16-27(31-19-21-11-9-8-10-12-21)28(34-35(5,6)29(2,3)4)17-24(23)30-18-22-13-14-25-26(15-22)33-20-32-25/h1,8-15,23-24,27-28,30H,16-20H2,2-6H3
InChIKey BKEYWRSBXBIQDP-UHFFFAOYSA-N
Mol Weight 493.7 g/mol
Molecular Formula C29H39NO4Si
Exact Mass 493.264835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nfqzBV8M7l
Name 2-Benzyloxy-3-(tert-butyldimethylsiloxy)-6-ethynyl-5-[1,2-(methylenedioxy)benzylamino]cyclohexane isomer
Comments Less than 3 mono-isotopic peaks
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Formula C29H39NO4Si
InChI InChI=1S/C29H39NO4Si/c1-7-23-16-27(31-19-21-11-9-8-10-12-21)28(34-35(5,6)29(2,3)4)17-24(23)30-18-22-13-14-25-26(15-22)33-20-32-25/h1,8-15,23-24,27-28,30H,16-20H2,2-6H3
InChIKey BKEYWRSBXBIQDP-UHFFFAOYSA-N
Molecular Weight 493.719 g/mol
SMILES N(C1CC(O[Si](C(C)(C)C)(C)C)C(CC1C#C)OCc1ccccc1)Cc1cc2OCOc2cc1
SPLASH splash10-000i-0000900000-3288bc04f525ac279afa
Source of Spectrum C-119-5782-43
Synonyms 2-Benzyloxy-3-(tert-butyldimethylsiloxy)-6-ethynyl-5-[3,4-(methylenedioxy)benzylamino]cyclohexane isomer
Wiley ID 760287