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3-Quinolinecarbonitrile, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-
SpectraBase Compound ID 29seBbQ1cXQ
InChI InChI=1S/C17H18N2OS/c1-10-11(9-18)15(14-5-4-6-21-14)16-12(19-10)7-17(2,3)8-13(16)20/h4-6,15,19H,7-8H2,1-3H3
InChIKey PIYSWQNGPBJWPC-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C17H18N2OS
Exact Mass 298.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf6G0FgYBiI
Name 3-Quinolinecarbonitrile, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2OS
InChI InChI=1S/C17H18N2OS/c1-10-11(9-18)15(14-5-4-6-21-14)16-12(19-10)7-17(2,3)8-13(16)20/h4-6,15,19H,7-8H2,1-3H3
InChIKey PIYSWQNGPBJWPC-UHFFFAOYSA-N
Molecular Weight 298.404 g/mol
SMILES N1C(=C(C(C2=C1CC(CC2=O)(C)C)c1sccc1)C#N)C
SPLASH splash10-0292-1490000000-ab40c5ca4bdbf1d19ff8
Source of Spectrum IY-1-4287-3
Synonyms 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile 2,7,7-trimethyl-5-oxo-4-(2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Wiley ID 1650864