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4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 4-ethoxyphenyl ester

View entire compound with spectra: 2 NMR

4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 4-ethoxyphenyl ester
SpectraBase Compound ID 5IAkhNW6A91
InChI InChI=1S/C19H16ClNO4/c1-3-23-13-8-10-14(11-9-13)24-19(22)17-12(2)25-21-18(17)15-6-4-5-7-16(15)20/h4-11H,3H2,1-2H3
InChIKey XLNHCBYSVCAPQG-UHFFFAOYSA-N
Mol Weight 357.79 g/mol
Molecular Formula C19H16ClNO4
Exact Mass 357.076786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5EY4LLMFDg8
Name 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 4-ethoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 357.076785695 u
Formula C19H16ClNO4
InChI InChI=1S/C19H16ClNO4/c1-3-23-13-8-10-14(11-9-13)24-19(22)17-12(2)25-21-18(17)15-6-4-5-7-16(15)20/h4-11H,3H2,1-2H3
InChIKey XLNHCBYSVCAPQG-UHFFFAOYSA-N
Molecular Weight 357.793 g/mol
SMILES C=1(C(=NOC1C)C=1C(Cl)=CC=CC1)C(OC1=CC=C(OCC)C=C1)=O