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7-Cyano-7-[(phenylthio)methyl]-1,4-dioxaspiro[4.5]decane
SpectraBase Compound ID BvRiZXgSBaH
InChI InChI=1S/C16H19NO2S/c17-12-15(13-20-14-5-2-1-3-6-14)7-4-8-16(11-15)18-9-10-19-16/h1-3,5-6H,4,7-11,13H2
InChIKey LTXGTXIEJQROGQ-UHFFFAOYSA-N
Mol Weight 289.39 g/mol
Molecular Formula C16H19NO2S
Exact Mass 289.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZufrrSQxcn
Name 7-Cyano-7-[(phenylthio)methyl]-1,4-dioxaspiro[4.5]decane
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Formula C16H19NO2S
InChI InChI=1S/C16H19NO2S/c17-12-15(13-20-14-5-2-1-3-6-14)7-4-8-16(11-15)18-9-10-19-16/h1-3,5-6H,4,7-11,13H2
InChIKey LTXGTXIEJQROGQ-UHFFFAOYSA-N
Molecular Weight 289.393 g/mol
SMILES C12(OCCO2)CC(C#N)(CSc2ccccc2)CCC1
SPLASH splash10-000j-4290000000-a6658315db835ba4b8ae
Source of Spectrum J-61-4639-5
Synonyms 7-[(phenylsulfanyl)methyl]-1,4-dioxaspiro[4.5]decane-7-carbonitrile 9-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane-9-carbonitrile 9-[(phenylthio)methyl]-1,4-dioxaspiro[4.5]decane-9-carbonitrile 7-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane-7-carbonitrile
Wiley ID 1292616