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6-Cyclopropyl-4-(2-furyl)-2-[(5-methyl-2-oxocyclohexyl)sulfanyl]nicotinonitrile
SpectraBase Compound ID FmsfDdh41lR
InChI InChI=1S/C20H20N2O2S/c1-12-4-7-17(23)19(9-12)25-20-15(11-21)14(18-3-2-8-24-18)10-16(22-20)13-5-6-13/h2-3,8,10,12-13,19H,4-7,9H2,1H3
InChIKey AZYNJJJBJCWEGL-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H20N2O2S
Exact Mass 352.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFmgUswl8wC
Name 6-Cyclopropyl-4-(2-furyl)-2-[(5-methyl-2-oxocyclohexyl)sulfanyl]nicotinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O2S
InChI InChI=1S/C20H20N2O2S/c1-12-4-7-17(23)19(9-12)25-20-15(11-21)14(18-3-2-8-24-18)10-16(22-20)13-5-6-13/h2-3,8,10,12-13,19H,4-7,9H2,1H3
InChIKey AZYNJJJBJCWEGL-UHFFFAOYSA-N
Molecular Weight 352.452 g/mol
SMILES c1(c(c(-c2occc2)cc(n1)C1CC1)C#N)SC1C(=O)CCC(C1)C
SPLASH splash10-01ox-7492000000-2780d62ccec269971390
Synonyms 6-Cyclopropyl-4-furan-2-yl-2-(5-methyl-2-oxo-cyclohexylsulfanyl)-nicotinonitrile
Wiley ID 1452489