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(E)-(1'SR,1RS,5SR,7RS,8SR)-3-(1'-Dimethylphenylsilyl-4'-methoxycarbonyl)butyl-7-tert-Butyldimethylsilyloxy-8-cyanobicyclo[3.3.0]oct-2-ene

View entire compound with spectra: 1 MS (GC)

(E)-(1'SR,1RS,5SR,7RS,8SR)-3-(1'-Dimethylphenylsilyl-4'-methoxycarbonyl)butyl-7-tert-Butyldimethylsilyloxy-8-cyanobicyclo[3.3.0]oct-2-ene
SpectraBase Compound ID AxWHgkFWEzH
InChI InChI=1S/C29H45NO3Si2/c1-29(2,3)35(7,8)33-26-19-21-17-22(18-24(21)25(26)20-30)27(15-12-16-28(31)32-4)34(5,6)23-13-10-9-11-14-23/h9-11,13-14,17,21,24-27H,12,15-16,18-19H2,1-8H3/t21-,24-,25+,26+,27-/m0/s1
InChIKey QJULYMQYUYRFSK-ZYMCBDGHSA-N
Mol Weight 511.9 g/mol
Molecular Formula C29H45NO3Si2
Exact Mass 511.293797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BweXflWjzXC
Name (E)-(1'SR,1RS,5SR,7RS,8SR)-3-(1'-Dimethylphenylsilyl-4'-methoxycarbonyl)butyl-7-tert-Butyldimethylsilyloxy-8-cyanobicyclo[3.3.0]oct-2-ene
Alternate Name(s) methyl (5S)-5-((3aS,5R,6S,6aS)-5-{[tert-butyl(dimethyl)silyl]oxy}-6-cyano-1,3a,4,5,6,6a-hexahydro-2-pentalenyl)-5-[dimethyl(phenyl)silyl]pentanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45NO3Si2
InChI InChI=1S/C29H45NO3Si2/c1-29(2,3)35(7,8)33-26-19-21-17-22(18-24(21)25(26)20-30)27(15-12-16-28(31)32-4)34(5,6)23-13-10-9-11-14-23/h9-11,13-14,17,21,24-27H,12,15-16,18-19H2,1-8H3/t21-,24-,25+,26+,27-/m0/s1
InChIKey QJULYMQYUYRFSK-ZYMCBDGHSA-N
Molecular Weight 511.853 g/mol
SMILES C1(=C[C@]2(C[C@]([C@@]([C@]2(C1)[H])(C#N)[H])(O[Si](C(C)(C)C)(C)C)[H])[H])[C@@]([Si](c1ccccc1)(C)C)(CCCC(=O)OC)[H]
SPLASH splash10-01p9-0900050000-cd1743d17da08d67f4d3
Source of Spectrum KC-0-2677-20
Wiley ID 826092