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(E)-(1SR,5SR,7RS,8SR)-3-(4'-Methoxycarbonylbutylidene)-7-tert-Butyldimethylsilyloxy-8-cyanobicyclo[3.3.0]octan-2-one
SpectraBase Compound ID 3IYqDZjIF7M
InChI InChI=1S/C21H33NO4Si/c1-21(2,3)27(5,6)26-17-12-15-11-14(9-7-8-10-18(23)25-4)20(24)19(15)16(17)13-22/h9,15-17,19H,7-8,10-12H2,1-6H3/b14-9-/t15-,16-,17+,19-/m0/s1
InChIKey IHZIZMKBYXHUEI-VGHSFWSXSA-N
Mol Weight 391.6 g/mol
Molecular Formula C21H33NO4Si
Exact Mass 391.217885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsO0DZgPprp
Name (E)-(1SR,5SR,7RS,8SR)-3-(4'-Methoxycarbonylbutylidene)-7-tert-Butyldimethylsilyloxy-8-cyanobicyclo[3.3.0]octan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H33NO4Si
InChI InChI=1S/C21H33NO4Si/c1-21(2,3)27(5,6)26-17-12-15-11-14(9-7-8-10-18(23)25-4)20(24)19(15)16(17)13-22/h9,15-17,19H,7-8,10-12H2,1-6H3/b14-9-/t15-,16-,17+,19-/m0/s1
InChIKey IHZIZMKBYXHUEI-VGHSFWSXSA-N
Molecular Weight 391.583 g/mol
SMILES [C@]12(C(\C(=C/CCCC(=O)OC)C[C@]2(C[C@]([C@@]1(C#N)[H])(O[Si](C(C)(C)C)(C)C)[H])[H])=O)[H]
SPLASH splash10-001i-0009000000-7cef97cc2716a9363a5c
Source of Spectrum KC-0-2676-13
Wiley ID 826100