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4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-3-(propa-1,2-dien-1-yl)-2-thioxo-1,2,3,4,5,6,7,8-octahydroquinoline-3-carbonitrile
SpectraBase Compound ID 4Lc6OlyJqjr
InChI InChI=1S/C21H19ClN2OS/c1-4-9-21(12-23)18(13-5-7-14(22)8-6-13)17-15(24-19(21)26)10-20(2,3)11-16(17)25/h5-9,18H,1,10-11H2,2-3H3,(H,24,26)
InChIKey DLDAILYZROILAJ-UHFFFAOYSA-N
Mol Weight 382.91 g/mol
Molecular Formula C21H19ClN2OS
Exact Mass 382.090662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RW69M2Ymxa
Name 4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-3-(propa-1,2-dien-1-yl)-2-thioxo-1,2,3,4,5,6,7,8-octahydroquinoline-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN2OS
InChI InChI=1S/C21H19ClN2OS/c1-4-9-21(12-23)18(13-5-7-14(22)8-6-13)17-15(24-19(21)26)10-20(2,3)11-16(17)25/h5-9,18H,1,10-11H2,2-3H3,(H,24,26)
InChIKey DLDAILYZROILAJ-UHFFFAOYSA-N
Molecular Weight 382.909 g/mol
SMILES N1C2=C(C(C(C1=S)(C#N)C=C=C)c1ccc(cc1)Cl)C(CC(C2)(C)C)=O
SPLASH splash10-001i-0019000000-c1c492e9a05e7cd8932e
Source of Spectrum O1-47-1122-4b
Wiley ID 1690382