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3-[N-(Benzoylmethyl)aminomethylene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
SpectraBase Compound ID LarcXLvLTzp
InChI InChI=1S/C18H13NO4/c20-15(12-6-2-1-3-7-12)11-19-10-14-17(21)13-8-4-5-9-16(13)23-18(14)22/h1-10,19H,11H2/b14-10-
InChIKey ZWJPUZHHGCSFTH-UVTDQMKNSA-N
Mol Weight 307.31 g/mol
Molecular Formula C18H13NO4
Exact Mass 307.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2H04owFVKIG
Name 3-[N-(Benzoylmethyl)aminomethylene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 307.084457899 u
Formula C18H13NO4
InChI InChI=1S/C18H13NO4/c20-15(12-6-2-1-3-7-12)11-19-10-14-17(21)13-8-4-5-9-16(13)23-18(14)22/h1-10,19H,11H2/b14-10-
InChIKey ZWJPUZHHGCSFTH-UVTDQMKNSA-N
Molecular Weight 307.305 g/mol
SMILES C1(\C(C(C=2C(O1)=CC=CC2)=O)=C/NCC(=O)C1=CC=CC=C1)=O