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1-Methyl-3-ethoxycarbonyl-1-azaazulen-2(1H)-one
SpectraBase Compound ID 9gxURC0vULc
InChI InChI=1S/C13H13NO3/c1-3-17-13(16)11-9-7-5-4-6-8-10(9)14(2)12(11)15/h4-8H,3H2,1-2H3
InChIKey OFHCNGVAQPLWBZ-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pthVHJI4Te
Name 1-Methyl-3-ethoxycarbonyl-1-azaazulen-2(1H)-one
Alternate Name(s) 1-Methyl-2-oxo-1,2-dihydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Ethyl 1-methyl-2-oxo-1,2-dihydrocyclohepta[b]pyrrole-3-carboxylate
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Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-3-17-13(16)11-9-7-5-4-6-8-10(9)14(2)12(11)15/h4-8H,3H2,1-2H3
InChIKey OFHCNGVAQPLWBZ-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES C=1(C(N(C)C=2C1C=CC=CC2)=O)C(=O)OCC
SPLASH splash10-0a4r-0910000000-09f3c99d5d37438a683d
Source of Spectrum H1-36-1461-3
Wiley ID 755296