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(3R)-4,4-Dimethyl-3-(2-<5-methyl-3-phenyl-isoxazol-4-yl>-5-oxo-4,5-D
SpectraBase Compound ID 8MgMp1O18Ar
InChI InChI=1S/C19H17N3O4S/c1-10-13(14(22-26-10)11-7-5-4-6-8-11)16-21-12(17(23)25-16)9-20-15-18(24)27-19(15,2)3/h4-9,15,20H,1-3H3/b12-9+
InChIKey LEZBECQLNHEWJZ-FMIVXFBMSA-N
Mol Weight 383.42 g/mol
Molecular Formula C19H17N3O4S
Exact Mass 383.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dm4ZFyxQIy
Name (3R)-4,4-Dimethyl-3-(2-<5-methyl-3-phenyl-isoxazol-4-yl>-5-oxo-4,5-D
Comments ISOMER II, BRUKER AC-P300 OR AM400 SPECTROMETER SOME SPECIFIC ISOMER ASSIGNMENTS UNCERTAIN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H17N3O4S
InChI InChI=1S/C19H17N3O4S/c1-10-13(14(22-26-10)11-7-5-4-6-8-11)16-21-12(17(23)25-16)9-20-15-18(24)27-19(15,2)3/h4-9,15,20H,1-3H3/b12-9+
InChIKey LEZBECQLNHEWJZ-FMIVXFBMSA-N
Instrument Name see comment
Literature Reference K.A. Ashline, R.P. Attrill, E.K.Chess, J. Chem. Soc. Perkin II 1559 (1990).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6