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

View entire compound with spectra: 2 NMR

4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 2-fluorophenyl ester
SpectraBase Compound ID 7S7so069pt8
InChI InChI=1S/C17H11ClFNO3/c1-10-15(17(21)22-14-9-5-4-8-13(14)19)16(20-23-10)11-6-2-3-7-12(11)18/h2-9H,1H3
InChIKey XDDRZBDGNVMHAH-UHFFFAOYSA-N
Mol Weight 331.73 g/mol
Molecular Formula C17H11ClFNO3
Exact Mass 331.041149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrdSvt5BP31
Name 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 2-fluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.041149078 u
Formula C17H11ClFNO3
InChI InChI=1S/C17H11ClFNO3/c1-10-15(17(21)22-14-9-5-4-8-13(14)19)16(20-23-10)11-6-2-3-7-12(11)18/h2-9H,1H3
InChIKey XDDRZBDGNVMHAH-UHFFFAOYSA-N
Molecular Weight 331.730 g/mol
SMILES C=1(C(=NOC1C)C=1C(Cl)=CC=CC1)C(OC1=C(F)C=CC=C1)=O