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2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)-4-methyl-pyridine-3-carbonitrile
SpectraBase Compound ID 7EoEhn7E0pL
InChI InChI=1S/C21H26N2O2S/c1-13-3-17(11-25-2)23-20(18(13)10-22)26-12-19(24)21-7-14-4-15(8-21)6-16(5-14)9-21/h3,14-16H,4-9,11-12H2,1-2H3/t14-,15+,16-,21-
InChIKey MKFPVIREYLZTHA-OFIQSVQDSA-N
Mol Weight 370.51 g/mol
Molecular Formula C21H26N2O2S
Exact Mass 370.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Koz7tPKDDq
Name 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)-4-methyl-pyridine-3-carbonitrile
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Formula C21H26N2O2S
InChI InChI=1S/C21H26N2O2S/c1-13-3-17(11-25-2)23-20(18(13)10-22)26-12-19(24)21-7-14-4-15(8-21)6-16(5-14)9-21/h3,14-16H,4-9,11-12H2,1-2H3/t14-,15+,16-,21-
InChIKey MKFPVIREYLZTHA-OFIQSVQDSA-N
Molecular Weight 370.511 g/mol
SMILES C12(C(CSc3c(c(C)cc(n3)COC)C#N)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-000i-3910000000-72ee0495f222481246ff
Synonyms 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(methoxymethyl)-4-methyl-pyridine-3-carbonitrile 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-(methoxymethyl)-4-methyl-nicotinonitrile 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(methoxymethyl)-4-methyl-3-pyridinecarbonitrile
Wiley ID 1452747