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5-Methyl-3-phenyl-4-(1-tosyl-pyrazol-3-yl)isoxazole

View entire compound with spectra: 1 NMR

5-Methyl-3-phenyl-4-(1-tosyl-pyrazol-3-yl)isoxazole
SpectraBase Compound ID XYuFSA3ZgR
InChI InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-13-12-18(21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKey ZTHOOTRBEXIZBW-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C20H17N3O3S
Exact Mass 379.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIcYqrkHI4i
Name 5-Methyl-3-phenyl-4-(1-tosyl-pyrazol-3-yl)isoxazole
Comments Computed using HOSE algorithm
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Exact Mass 379.099062590 u
Formula C20H17N3O3S
InChI InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-13-12-18(21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKey ZTHOOTRBEXIZBW-UHFFFAOYSA-N
Molecular Weight 379.434 g/mol
SMILES C1(=NOC(=C1C1=NN(C=C1)S(=O)(=O)C1=CC=C(C)C=C1)C)C1=CC=CC=C1