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3-isoxazolecarboxamide, N-(5-methyl-3-isoxazolyl)-5-phenyl-
SpectraBase Compound ID DLJVv6VV71K
InChI InChI=1S/C14H11N3O3/c1-9-7-13(17-19-9)15-14(18)11-8-12(20-16-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17,18)
InChIKey ZCRWIHADXROKHA-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C14H11N3O3
Exact Mass 269.080041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZilMjQwbG3
Name 3-Isoxazolecarboxamide, N-(5-methyl-3-isoxazolyl)-5-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.080041223 u
Formula C14H11N3O3
InChI InChI=1S/C14H11N3O3/c1-9-7-13(17-19-9)15-14(18)11-8-12(20-16-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17,18)
InChIKey ZCRWIHADXROKHA-UHFFFAOYSA-N
Molecular Weight 269.260 g/mol
SMILES N(C1=NOC(=C1)C)C(C1=NOC(=C1)C1=CC=CC=C1)=O