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1-Cyano-5-oxo-2,5-dihydro-3H-pyrrolo[2,1-a]isoindole-7-carboxylic acid methyl ester
SpectraBase Compound ID 6L1srwjjz3f
InChI InChI=1S/C14H10N2O3/c1-19-14(18)8-2-3-10-11(6-8)13(17)16-5-4-9(7-15)12(10)16/h2-3,6H,4-5H2,1H3
InChIKey IPXNGHFFNDXOHR-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C14H10N2O3
Exact Mass 254.069142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MaAPp1bIDh
Name 1-Cyano-5-oxo-2,5-dihydro-3H-pyrrolo[2,1-a]isoindole-7-carboxylic acid methyl ester
Alternate Name(s) Methyl 1-cyano-5-oxo-2,5-dihydro-3H-pyrrolo[2,1-a]isoindole-7-carboxylate Methyl 10-Cyano-2-oxo-1-azatricyclo[7.3.0.0(3,8)]dodeca-3,4,6-trien-5-carboxylate
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Formula C14H10N2O3
InChI InChI=1S/C14H10N2O3/c1-19-14(18)8-2-3-10-11(6-8)13(17)16-5-4-9(7-15)12(10)16/h2-3,6H,4-5H2,1H3
InChIKey IPXNGHFFNDXOHR-UHFFFAOYSA-N
Molecular Weight 254.245 g/mol
SMILES C=12N(C(c3cc(ccc23)C(=O)OC)=O)CCC1C#N
SPLASH splash10-0udi-0190000000-03d0a257ebe6c808a126
Source of Spectrum C-117-2707-29
Wiley ID 758736