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3-PHENYL-5,6,7,8-TETRAHYDRO-4-H-ISOXAZOLO-[4.5-C]-AZEPIN-4-ONE
SpectraBase Compound ID 4X7nR8k8mj
InChI InChI=1S/C13H12N2O2/c16-13-11-10(7-4-8-14-13)17-15-12(11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,16)
InChIKey ODPGDRNHFWDHBP-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C13H12N2O2
Exact Mass 228.089878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hLxvweypGL
Name 3-PHENYL-5,6,7,8-TETRAHYDRO-4-H-ISOXAZOLO-[4.5-C]-AZEPIN-4-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N2O2
InChI InChI=1S/C13H12N2O2/c16-13-11-10(7-4-8-14-13)17-15-12(11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,16)
InChIKey ODPGDRNHFWDHBP-UHFFFAOYSA-N
Literature Reference Author G.M.SHUTSKE
Literature Reference Citation J.HETCYCL.CHEM.,27,1617(1990)
Literature Reference DOI 10.1002/jhet.5570270617
Molecular Weight 228.250 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1196