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3-(4-Chloro-phenyl)-6-oxo-3,6-dihydro-2,3,4,5a,9-pentaaza-cyclopenta[a]naphthalene-7-carboxylic acid ethyl ester
SpectraBase Compound ID EL6KkrgGIE6
InChI InChI=1S/C17H12ClN5O3/c1-2-26-17(25)13-7-19-14-12-8-21-23(11-5-3-10(18)4-6-11)15(12)20-9-22(14)16(13)24/h3-9H,2H2,1H3
InChIKey BNDJWWHVINVBML-UHFFFAOYSA-N
Mol Weight 369.77 g/mol
Molecular Formula C17H12ClN5O3
Exact Mass 369.062867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDodjS87aIF
Name 3-(4-Chloro-phenyl)-6-oxo-3,6-dihydro-2,3,4,5a,9-pentaaza-cyclopenta[a]naphthalene-7-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClN5O3
InChI InChI=1S/C17H12ClN5O3/c1-2-26-17(25)13-7-19-14-12-8-21-23(11-5-3-10(18)4-6-11)15(12)20-9-22(14)16(13)24/h3-9H,2H2,1H3
InChIKey BNDJWWHVINVBML-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000188
Molecular Weight 369.768 g/mol
SMILES C=12c3c(N=CN2C(C(=CN1)C(=O)OCC)=O)[n](nc3)-c1ccc(cc1)Cl
SPLASH splash10-00r2-0197000000-059b01e3aa6841d6fd5a
Source of Spectrum APC-344-193-12b
Synonyms Ethyl 8-(4-chlorophenyl)-4-oxo-4,8-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidine-3-carboxylate
Wiley ID 1769221