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Isoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-chloro-4-fluorophenyl)-

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Isoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-chloro-4-fluorophenyl)-
SpectraBase Compound ID F5dDY9nhNM9
InChI InChI=1S/C17H10Cl2F2N2O2/c1-8-14(17(24)22-9-5-6-12(20)11(19)7-9)16(23-25-8)15-10(18)3-2-4-13(15)21/h2-7H,1H3,(H,22,24)
InChIKey GKGNVKJXAMXTJY-UHFFFAOYSA-N
Mol Weight 383.18 g/mol
Molecular Formula C17H10Cl2F2N2O2
Exact Mass 382.008739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 267X21UsOVW
Name Isoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-chloro-4-fluorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.008739294 u
Formula C17H10Cl2F2N2O2
InChI InChI=1S/C17H10Cl2F2N2O2/c1-8-14(17(24)22-9-5-6-12(20)11(19)7-9)16(23-25-8)15-10(18)3-2-4-13(15)21/h2-7H,1H3,(H,22,24)
InChIKey GKGNVKJXAMXTJY-UHFFFAOYSA-N
Molecular Weight 383.182 g/mol
SMILES C=1(C(C(NC=2C=C(Cl)C(=CC2)F)=O)=C(C)ON1)C1=C(C=CC=C1Cl)F