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(1S,3aR,4S,5R,7aS)-1-ethyl-5-(2-trimethylsilylethynyl)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbothioic acid S-(2-pyridinyl) ester

View entire compound with spectra: 1 MS (GC)

(1S,3aR,4S,5R,7aS)-1-ethyl-5-(2-trimethylsilylethynyl)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbothioic acid S-(2-pyridinyl) ester
SpectraBase Compound ID GgOjygNZFXB
InChI InChI=1S/C22H29NOSSi/c1-5-16-9-12-19-18(16)11-10-17(13-15-26(2,3)4)21(19)22(24)25-20-8-6-7-14-23-20/h6-8,10-11,14,16-19,21H,5,9,12H2,1-4H3/t16-,17-,18+,19+,21+/m0/s1
InChIKey NYDQXOCWXHFMMI-WXRGLTTHSA-N
Mol Weight 383.63 g/mol
Molecular Formula C22H29NOSSi
Exact Mass 383.173912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeRIPRqb1P2
Name (1S,3aR,4S,5R,7aS)-1-ethyl-5-(2-trimethylsilylethynyl)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbothioic acid S-(2-pyridinyl) ester
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Formula C22H29NOSSi
InChI InChI=1S/C22H29NOSSi/c1-5-16-9-12-19-18(16)11-10-17(13-15-26(2,3)4)21(19)22(24)25-20-8-6-7-14-23-20/h6-8,10-11,14,16-19,21H,5,9,12H2,1-4H3/t16-,17-,18+,19+,21+/m0/s1
InChIKey NYDQXOCWXHFMMI-WXRGLTTHSA-N
Molecular Weight 383.625 g/mol
SMILES C([C@]1([C@]2([C@]([C@@](CC)(CC2)[H])([H])C=C[C@]1(C#C[Si](C)(C)C)[H])[H])[H])(Sc1ncccc1)=O
SPLASH splash10-0229-9510000000-91910eb80582535d9eac
Source of Spectrum J-59-346-40
Synonyms (1S,3aR,4S,5R,7aS)-1-ethyl-5-(2-trimethylsilylethynyl)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbothioic acid S-(2-pyridyl) ester S-(2-pyridyl) (1S,3aR,4S,5R,7aS)-1-ethyl-5-(2-trimethylsilylethynyl)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbothioate S-pyridin-2-yl (1S,3aR,4S,5R,7aS)-1-ethyl-5-(2-trimethylsilylethynyl)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbothioate
Wiley ID 1361136