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5-isoxazolecarboxamide, 3-(4-methoxyphenyl)-N-[2-(4-pyridinyl)ethyl]-
SpectraBase Compound ID 82JiU8U5fKV
InChI InChI=1S/C18H17N3O3/c1-23-15-4-2-14(3-5-15)16-12-17(24-21-16)18(22)20-11-8-13-6-9-19-10-7-13/h2-7,9-10,12H,8,11H2,1H3,(H,20,22)
InChIKey QMYOJLRZDCGRHP-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C18H17N3O3
Exact Mass 323.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7Prweet31U
Name 5-Isoxazolecarboxamide, 3-(4-methoxyphenyl)-N-[2-(4-pyridinyl)ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 323.126991416 u
Formula C18H17N3O3
InChI InChI=1S/C18H17N3O3/c1-23-15-4-2-14(3-5-15)16-12-17(24-21-16)18(22)20-11-8-13-6-9-19-10-7-13/h2-7,9-10,12H,8,11H2,1H3,(H,20,22)
InChIKey QMYOJLRZDCGRHP-UHFFFAOYSA-N
Molecular Weight 323.352 g/mol
SMILES C1(=CC(C2=CC=C(OC)C=C2)=NO1)C(=O)NCCC=1C=CN=CC1