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3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridinylmethyl)-4-isoxazolecarboxamide
SpectraBase Compound ID 1CdyRcSSVe2
InChI InChI=1S/C17H13Cl2N3O2/c1-10-14(17(23)21-9-11-5-7-20-8-6-11)16(22-24-10)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,21,23)
InChIKey ASTYQYHJNOJYRY-UHFFFAOYSA-N
Mol Weight 362.22 g/mol
Molecular Formula C17H13Cl2N3O2
Exact Mass 361.038482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gk6G4MWP0sp
Name 3-(2,6-Dichlorophenyl)-5-methyl-N-(4-pyridinylmethyl)-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.038482069 u
Formula C17H13Cl2N3O2
InChI InChI=1S/C17H13Cl2N3O2/c1-10-14(17(23)21-9-11-5-7-20-8-6-11)16(22-24-10)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,21,23)
InChIKey ASTYQYHJNOJYRY-UHFFFAOYSA-N
Molecular Weight 362.216 g/mol
SMILES C1(C2=C(C=CC=C2Cl)Cl)=NOC(=C1C(=O)NCC1=CC=NC=C1)C