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methyl 4-{[(1Z)-3-(4-methylphenyl)-3-oxo-1-propenyl]amino}benzoate
SpectraBase Compound ID Lq1RxMP4MTo
InChI InChI=1S/C18H17NO3/c1-13-3-5-14(6-4-13)17(20)11-12-19-16-9-7-15(8-10-16)18(21)22-2/h3-12,19H,1-2H3/b12-11-
InChIKey DMXDXAKGPUCXRK-QXMHVHEDSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpBpUTARnTC
Name Methyl 4-{[(1Z)-3-(4-methylphenyl)-3-oxo-1-propenyl]amino}benzoate
Comments Computed using HOSE algorithm
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Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-13-3-5-14(6-4-13)17(20)11-12-19-16-9-7-15(8-10-16)18(21)22-2/h3-12,19H,1-2H3/b12-11-
InChIKey DMXDXAKGPUCXRK-QXMHVHEDSA-N
Molecular Weight 295.338 g/mol
SMILES N(\C=C/C(C1=CC=C(C=C1)C)=O)C=1C=CC(C(=O)OC)=CC1