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2-(2-Chloroquinolin-3-yl)-3,5,7-trioxo-3,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine-6-carbonitrile
SpectraBase Compound ID IOEtMAmsg1N
InChI InChI=1S/C17H7ClN4O3/c18-16-9(5-8-3-1-2-4-11(8)20-16)14-13(23)6-12-15(24)10(7-19)17(25)22(12)21-14/h1-6,10H
InChIKey SARVOYZHEPGRMZ-UHFFFAOYSA-N
Mol Weight 350.72 g/mol
Molecular Formula C17H7ClN4O3
Exact Mass 350.020668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRDPWjXRiVb
Name 2-(2-Chloroquinolin-3-yl)-3,5,7-trioxo-3,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine-6-carbonitrile
Appearance Yellow crystals
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Formula C17H7ClN4O3
InChI InChI=1S/C17H7ClN4O3/c18-16-9(5-8-3-1-2-4-11(8)20-16)14-13(23)6-12-15(24)10(7-19)17(25)22(12)21-14/h1-6,10H
InChIKey SARVOYZHEPGRMZ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MSQP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2965
Molecular Weight 350.721 g/mol
SMILES c1(Cl)nc2ccccc2cc1C=1C(C=C2N(N1)C(C(C2=O)C#N)=O)=O
SPLASH splash10-0aor-9100000000-7f028217303b6cb4fdfd
Source of Spectrum Y-54-3432-8
Wiley ID 1878692