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4-(4-Iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID JHjnpjymsn3
InChI InChI=1S/C19H19IN2O/c1-11-14(10-21)17(12-4-6-13(20)7-5-12)18-15(22-11)8-19(2,3)9-16(18)23/h4-7,17,22H,8-9H2,1-3H3
InChIKey FQBUZHNNRJEJQZ-UHFFFAOYSA-N
Mol Weight 418.28 g/mol
Molecular Formula C19H19IN2O
Exact Mass 418.054208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCHUhEh4Vsg
Name 4-(4-Iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS Registry Number 303136-75-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19IN2O
InChI InChI=1S/C19H19IN2O/c1-11-14(10-21)17(12-4-6-13(20)7-5-12)18-15(22-11)8-19(2,3)9-16(18)23/h4-7,17,22H,8-9H2,1-3H3
InChIKey FQBUZHNNRJEJQZ-UHFFFAOYSA-N
Molecular Weight 418.278 g/mol
SMILES N1C(=C(C(C2=C1CC(CC2=O)(C)C)c1ccc(I)cc1)C#N)C
SPLASH splash10-014i-0290300000-0f3742c5bcbe8c1d3687
Synonyms 4-(4-Iodo-phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile 4-(4-iodophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile 4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile 4-(4-iodophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Wiley ID 1459332