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METHYL-4-(4-CARBOXYPHENYL)-6-CHLORO-5-FORMYL-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
SpectraBase Compound ID C949mzTrcIu
InChI InChI=1S/C16H14ClNO5/c1-8-12(16(22)23-2)13(11(7-19)14(17)18-8)9-3-5-10(6-4-9)15(20)21/h3-7,13,18H,1-2H3,(H,20,21)
InChIKey OTDBKLKJDNTCDP-UHFFFAOYSA-N
Mol Weight 335.74 g/mol
Molecular Formula C16H14ClNO5
Exact Mass 335.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28VOOIrwCu
Name 4-(2-Chloranyl-3-methanoyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid
Alternate Name(s) 4-(2-Chloro-3-formyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid 4-(5-carbomethoxy-2-chloro-3-formyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid
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Formula C16H14ClNO5
InChI InChI=1S/C16H14ClNO5/c1-8-12(16(22)23-2)13(11(7-19)14(17)18-8)9-3-5-10(6-4-9)15(20)21/h3-7,13,18H,1-2H3,(H,20,21)
InChIKey OTDBKLKJDNTCDP-UHFFFAOYSA-N
Molecular Weight 335.743 g/mol
SMILES N1C(=C(C(c2ccc(C(=O)O)cc2)C(C=O)=C1Cl)C(=O)OC)C
SPLASH splash10-0ik9-0983000000-9caf781657219ebe7da3
Source of Spectrum KC-0-950-2
Wiley ID 785600