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12-[2-(Butyldimethylsiloxy)ethyl)-4,8,12-trimethyl-13-oxocyclotetradeca-4,8-dienecarbonitrile isomer
SpectraBase Compound ID 7s1zEWNPst7
InChI InChI=1S/C26H45NO2Si/c1-21-11-9-12-22(2)14-15-23(20-27)19-24(28)26(6,16-10-13-21)17-18-29-30(7,8)25(3,4)5/h12-13,23H,9-11,14-19H2,1-8H3/b21-13+,22-12+/t23?,26-/m0/s1
InChIKey FQBRULLZIUHBNB-HWPFIQMSSA-N
Mol Weight 431.7 g/mol
Molecular Formula C26H45NO2Si
Exact Mass 431.321956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdBlIGdX1VQ
Name 12-[2-(Butyldimethylsiloxy)ethyl)-4,8,12-trimethyl-13-oxocyclotetradeca-4,8-dienecarbonitrile isomer
Comments Less than 3 mono-isotopic peaks
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Formula C26H45NO2Si
InChI InChI=1S/C26H45NO2Si/c1-21-11-9-12-22(2)14-15-23(20-27)19-24(28)26(6,16-10-13-21)17-18-29-30(7,8)25(3,4)5/h12-13,23H,9-11,14-19H2,1-8H3/b21-13+,22-12+/t23?,26-/m0/s1
InChIKey FQBRULLZIUHBNB-HWPFIQMSSA-N
Molecular Weight 431.736 g/mol
SMILES C1([C@](CCO[Si](C(C)(C)C)(C)C)(CC\C=C\(CC\C=C\(CCC(C#N)C1)C)C)C)=O
SPLASH splash10-004i-0009100000-ed647d6675fe008ac20b
Source of Spectrum KC-1993-222-14
Synonyms 12-[2-(Butyldimethylsiloxy)ethyl)-4,8,12-trimethyl-13-oxocyclotetradeca-4,8-dienecarbonitrile 12-[2-(t-Butyldimethylsiloxy)ethyl)-4,8,12-trimethyl-13-oxocyclotetradeca-4,8-dienecarbonitrile isomer (4E,8E)-(S)-12-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-4,8,12-trimethyl-13-oxo-cyclotetradeca-4,8-dienecarbonitrile 12-[2-(t-Butyldimethylsiloxy)ethyl)-4,8,12-trimethyl-13-oxocyclotetradeca-4,8-dienecarbonitrile
Wiley ID 778690