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2-Benzoylamido-3-(3,4-methylenedioxyphenyl)propenoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Benzoylamido-3-(3,4-methylenedioxyphenyl)propenoic acid
SpectraBase Compound ID LivL60PfkR5
InChI InChI=1S/C17H13NO5/c19-16(12-4-2-1-3-5-12)18-13(17(20)21)8-11-6-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H,18,19)(H,20,21)/b13-8-
InChIKey XXTGKIRVFYJOKQ-JYRVWZFOSA-N
Mol Weight 311.29 g/mol
Molecular Formula C17H13NO5
Exact Mass 311.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuXQfX7nqLf
Name 2-Benzoylamido-3-(3,4-methylenedioxyphenyl)propenoic acid
Comments Computed using HOSE algorithm
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Exact Mass 311.079372518 u
Formula C17H13NO5
InChI InChI=1S/C17H13NO5/c19-16(12-4-2-1-3-5-12)18-13(17(20)21)8-11-6-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H,18,19)(H,20,21)/b13-8-
InChIKey XXTGKIRVFYJOKQ-JYRVWZFOSA-N
Molecular Weight 311.293 g/mol
SMILES C(N\C(=C/C1=CC=2OCOC2C=C1)C(=O)O)(=O)C=1C=CC=CC1