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Benzoic acid, 2-[[(5-phenyl-3-isoxazolyl)carbonyl]amino]-, methyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 2-[[(5-phenyl-3-isoxazolyl)carbonyl]amino]-, methyl ester
SpectraBase Compound ID E8BwvbPIWpL
InChI InChI=1S/C18H14N2O4/c1-23-18(22)13-9-5-6-10-14(13)19-17(21)15-11-16(24-20-15)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,21)
InChIKey LQBPBABJZOCPOG-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C18H14N2O4
Exact Mass 322.095357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LknCKuRFzpk
Name Benzoic acid, 2-[[(5-phenyl-3-isoxazolyl)carbonyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.095356935 u
Formula C18H14N2O4
InChI InChI=1S/C18H14N2O4/c1-23-18(22)13-9-5-6-10-14(13)19-17(21)15-11-16(24-20-15)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,21)
InChIKey LQBPBABJZOCPOG-UHFFFAOYSA-N
Molecular Weight 322.320 g/mol
SMILES N(C(C1=NOC(=C1)C1=CC=CC=C1)=O)C=1C(C(=O)OC)=CC=CC1