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N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide

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N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
SpectraBase Compound ID MI5K0jRR7i
InChI InChI=1S/C24H25N3O2S/c1-14-20(21(27-29-14)18-5-3-2-4-6-18)22(28)26-23-25-19(13-30-23)24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,13,15-17H,7-12H2,1H3,(H,25,26,28)
InChIKey DILPRAVGOGDAQE-UHFFFAOYSA-N
Mol Weight 419.54 g/mol
Molecular Formula C24H25N3O2S
Exact Mass 419.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Exq9TSaWVM
Name N-[4-(1-Adamantyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.166748229 u
Formula C24H25N3O2S
InChI InChI=1S/C24H25N3O2S/c1-14-20(21(27-29-14)18-5-3-2-4-6-18)22(28)26-23-25-19(13-30-23)24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,13,15-17H,7-12H2,1H3,(H,25,26,28)
InChIKey DILPRAVGOGDAQE-UHFFFAOYSA-N
Molecular Weight 419.543 g/mol
SMILES N(C1=NC(C23CC4CC(C3)CC(C2)C4)=CS1)C(C=1C(=NOC1C)C1=CC=CC=C1)=O