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2-(1-Ethoximino-butyl)-3-hydroxy-5-(3-fluoro-4-benzoylamido-phenyl)-2-cyclohexen-1-one
SpectraBase Compound ID 8aMh9eg9IUX
InChI InChI=1S/C25H27FN2O4/c1-3-8-21(28-32-4-2)24-22(29)14-18(15-23(24)30)17-11-12-20(19(26)13-17)27-25(31)16-9-6-5-7-10-16/h5-7,9-13,18,29H,3-4,8,14-15H2,1-2H3,(H,27,31)/b28-21+
InChIKey XXCXUQYCONWMHE-SGWCAAJKSA-N
Mol Weight 438.5 g/mol
Molecular Formula C25H27FN2O4
Exact Mass 438.195486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7H4CDKToRjB
Name 2-(1-Ethoximino-butyl)-3-hydroxy-5-(3-fluoro-4-benzoylamido-phenyl)-2-cyclohexen-1-one
CAS Registry Number 103414-63-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H27FN2O4
InChI InChI=1S/C25H27FN2O4/c1-3-8-21(28-32-4-2)24-22(29)14-18(15-23(24)30)17-11-12-20(19(26)13-17)27-25(31)16-9-6-5-7-10-16/h5-7,9-13,18,29H,3-4,8,14-15H2,1-2H3,(H,27,31)/b28-21+
InChIKey XXCXUQYCONWMHE-SGWCAAJKSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3