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Methyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 6yO87i9FPeV
InChI InChI=1S/C18H18INO3/c1-10-15(18(22)23-2)16(11-5-3-6-12(19)9-11)17-13(20-10)7-4-8-14(17)21/h3,5-6,9,16,20H,4,7-8H2,1-2H3
InChIKey DTBZMXXUQYDGCJ-UHFFFAOYSA-N
Mol Weight 423.25 g/mol
Molecular Formula C18H18INO3
Exact Mass 423.033138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMSgK1MPgt9
Name Methyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS Registry Number 298706-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18INO3
InChI InChI=1S/C18H18INO3/c1-10-15(18(22)23-2)16(11-5-3-6-12(19)9-11)17-13(20-10)7-4-8-14(17)21/h3,5-6,9,16,20H,4,7-8H2,1-2H3
InChIKey DTBZMXXUQYDGCJ-UHFFFAOYSA-N
Molecular Weight 423.250 g/mol
SMILES N1C(=C(C(C2=C1CCCC2=O)c1cc(ccc1)I)C(OC)=O)C
SPLASH splash10-00di-1390000000-91a157721ab007a03a5b
Synonyms 4-(3-Iodo-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid methyl ester 4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester 4-(3-iodophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Methyl 4-(3-iodanylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Methyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Wiley ID 1459186