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2-Cyano-1-methyl-5,6,8,9,10,11-hexahydro-3H,11H-pyrido[3,2,1-I,j]-6-oxa-(1,3a)-diazaazulene-3,11-dione
SpectraBase Compound ID IvwTUkVoAh3
InChI InChI=1S/C12H11N3O3/c1-7-8(5-13)12(17)14-6-18-15-4-2-3-9(16)10(7)11(14)15/h2-4,6H2,1H3
InChIKey AJXLHSFQYNLELQ-UHFFFAOYSA-N
Mol Weight 245.24 g/mol
Molecular Formula C12H11N3O3
Exact Mass 245.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5n1WRs6IBY
Name 2-Cyano-1-methyl-5,6,8,9,10,11-hexahydro-3H,11H-pyrido[3,2,1-I,j]-6-oxa-(1,3a)-diazaazulene-3,11-dione
Comments Less than 3 mono-isotopic peaks
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Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c1-7-8(5-13)12(17)14-6-18-15-4-2-3-9(16)10(7)11(14)15/h2-4,6H2,1H3
InChIKey AJXLHSFQYNLELQ-UHFFFAOYSA-N
Molecular Weight 245.238 g/mol
SMILES C1=2N3CON1CCCC(C2C(=C(C3=O)C#N)C)=O
SPLASH splash10-0002-0090000000-dc21da5ceba239be64d2
Source of Spectrum Y-31-396-9
Synonyms 5-methyl-3,6-dioxo-6,7,8,9-tetrahydro-3H-1-oxa-2a,9a-diazabenzo[cd]azulene-4-carbonitrile
Wiley ID 761370