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N-(1-adamantyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-(1-adamantyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 6iPpwLeYubn
InChI InChI=1S/C21H23ClN2O2/c1-12-18(19(24-26-12)16-4-2-3-5-17(16)22)20(25)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-11H2,1H3,(H,23,25)/t13-,14+,15-,21-
InChIKey GMUBNWZFNDDJJI-FZUGUKJMSA-N
Mol Weight 370.88 g/mol
Molecular Formula C21H23ClN2O2
Exact Mass 370.144806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3AJ0jb1Anj
Name N-(1-Adamantyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.144805687 u
Formula C21H23ClN2O2
InChI InChI=1S/C21H23ClN2O2/c1-12-18(19(24-26-12)16-4-2-3-5-17(16)22)20(25)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-11H2,1H3,(H,23,25)/t13-,14+,15-,21-
InChIKey GMUBNWZFNDDJJI-FZUGUKJMSA-N
Molecular Weight 370.880 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O