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Dimethyl 5-(1,1-dichlorohept-6-yn-1-yl)cyclopenta[c]pyridine-2,2-dicarboxylate
SpectraBase Compound ID FhS4uV98LVg
InChI InChI=1S/C19H21Cl2NO4/c1-4-5-6-7-8-19(20,21)15-9-13-10-18(16(23)25-2,17(24)26-3)11-14(13)12-22-15/h1,9,12H,5-8,10-11H2,2-3H3
InChIKey AICDREAFJUCBIX-UHFFFAOYSA-N
Mol Weight 398.29 g/mol
Molecular Formula C19H21Cl2NO4
Exact Mass 397.084764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZwJSm0dyM
Name Dimethyl 5-(1,1-dichlorohept-6-yn-1-yl)cyclopenta[c]pyridine-2,2-dicarboxylate
Alternate Name(s) Dimethyl 3-(1,1-dichloro-6-heptynyl)-5,7-dihydro-6H-cyclopenta[c]pyridine-6,6-dicarboxylate
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Formula C19H21Cl2NO4
InChI InChI=1S/C19H21Cl2NO4/c1-4-5-6-7-8-19(20,21)15-9-13-10-18(16(23)25-2,17(24)26-3)11-14(13)12-22-15/h1,9,12H,5-8,10-11H2,2-3H3
InChIKey AICDREAFJUCBIX-UHFFFAOYSA-N
Molecular Weight 398.286 g/mol
SMILES C1(Cc2cc(C(Cl)(Cl)CCCCC#C)ncc2C1)(C(=O)OC)C(=O)OC
SPLASH splash10-02t9-0009000000-b6ca9984e22693f31ab9
Source of Spectrum QE-12-5628-4
Wiley ID 1587131