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3-methoxy-4-oxo-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester
SpectraBase Compound ID qHczhxgSdo
InChI InChI=1S/C12H13NO6/c1-17-6-4-5-7(11(15)18-2)8(12(16)19-3)9(5)13-10(6)14/h4-5,9H,1-3H3,(H,13,14)
InChIKey ROGVBUYNZDVJFK-UHFFFAOYSA-N
Mol Weight 267.24 g/mol
Molecular Formula C12H13NO6
Exact Mass 267.074287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkknJyRRuLx
Name 3-methoxy-4-oxo-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester
CAS Registry Number 117125-24-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H13NO6
InChI InChI=1S/C12H13NO6/c1-17-6-4-5-7(11(15)18-2)8(12(16)19-3)9(5)13-10(6)14/h4-5,9H,1-3H3,(H,13,14)
InChIKey ROGVBUYNZDVJFK-UHFFFAOYSA-N
Molecular Weight 267.237 g/mol
SMILES N1C(C(=CC2C(=C(C12)C(=O)OC)C(=O)OC)OC)=O
SPLASH splash10-004i-0900000000-f1162272ae69b397b006
Source of Spectrum Y-25-733-6
Synonyms 4-keto-3-methoxy-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester dimethyl 3-methoxy-4-oxidanylidene-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylate dimethyl 3-methoxy-4-oxo-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylate
Wiley ID 1271001