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3-(o-chlorophenyl)-5-methyl-N-[(morpholino)thiocarbonyl]-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

3-(o-chlorophenyl)-5-methyl-N-[(morpholino)thiocarbonyl]-4-isoxazolecarboxamide
SpectraBase Compound ID 1RKGnqQdEeY
InChI InChI=1S/C16H16ClN3O3S/c1-10-13(14(19-23-10)11-4-2-3-5-12(11)17)15(21)18-16(24)20-6-8-22-9-7-20/h2-5H,6-9H2,1H3,(H,18,21,24)
InChIKey ALPWJDISCNXXOK-UHFFFAOYSA-N
Mol Weight 365.84 g/mol
Molecular Formula C16H16ClN3O3S
Exact Mass 365.06009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OWsvMNFCLS
Name 3-(o-Chlorophenyl)-5-methyl-N-[(morpholino)thiocarbonyl]-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.060090258 u
Formula C16H16ClN3O3S
InChI InChI=1S/C16H16ClN3O3S/c1-10-13(14(19-23-10)11-4-2-3-5-12(11)17)15(21)18-16(24)20-6-8-22-9-7-20/h2-5H,6-9H2,1H3,(H,18,21,24)
InChIKey ALPWJDISCNXXOK-UHFFFAOYSA-N
Molecular Weight 365.835 g/mol
SMILES N(C(N1CCOCC1)=S)C(C=1C(=NOC1C)C=1C(=CC=CC1)Cl)=O