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1H-1,4-Benzodiazonine-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester, (?,E)-

View entire compound with spectra: 1 MS (GC)

1H-1,4-Benzodiazonine-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester, (?,E)-
SpectraBase Compound ID ARTwLYrNLzT
InChI InChI=1S/C13H12N2O3/c1-18-13(17)11-7-6-9-4-2-3-5-10(9)15-12(16)8-14-11/h2-7H,8H2,1H3,(H,15,16)/b7-6-,14-11+
InChIKey KAXRWOFXMXZGSG-CVWCMPNTSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CD2AeqP8hwm
Name 1H-1,4-Benzodiazonine-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester, (?,E)-
Alternate Name(s) 5-Methoxycarbonyl-1,3-dihydro-2H-1,4-benzodiazonin-2-one Methyl 2-oxo-2,3-dihydro-1H-1,4-benzodiazonine-5-carboxylate
CAS Registry Number 123771-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c1-18-13(17)11-7-6-9-4-2-3-5-10(9)15-12(16)8-14-11/h2-7H,8H2,1H3,(H,15,16)/b7-6-,14-11+
InChIKey KAXRWOFXMXZGSG-CVWCMPNTSA-N
Molecular Weight 244.250 g/mol
SMILES N1c2ccccc2\C=C/C(=N\CC1=O)C(=O)OC
SPLASH splash10-00ku-0930000000-fb6a84fe44235b71fdb2
Source of Spectrum Y-26-538-2
Wiley ID 1246887