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5-(5-Chloro-2-hydroxy-phenyl)-7-(4-chloro-phenyl)-7,8-dihydro-3-methyl-6H-isoxazolo(4,5-B)azepine
SpectraBase Compound ID 7L2OoJ3MTke
InChI InChI=1S/C20H16Cl2N2O2/c1-11-20-19(26-24-11)9-13(12-2-4-14(21)5-3-12)8-17(23-20)16-10-15(22)6-7-18(16)25/h2-7,10,13,25H,8-9H2,1H3
InChIKey YKGYRWZJKJSBPQ-UHFFFAOYSA-N
Mol Weight 387.27 g/mol
Molecular Formula C20H16Cl2N2O2
Exact Mass 386.058883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EH3gxB7D6AO
Name 5-(5-Chloro-2-hydroxy-phenyl)-7-(4-chloro-phenyl)-7,8-dihydro-3-methyl-6H-isoxazolo(4,5-B)azepine
CAS Registry Number 78778-10-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H16Cl2N2O2
InChI InChI=1S/C20H16Cl2N2O2/c1-11-20-19(26-24-11)9-13(12-2-4-14(21)5-3-12)8-17(23-20)16-10-15(22)6-7-18(16)25/h2-7,10,13,25H,8-9H2,1H3
InChIKey YKGYRWZJKJSBPQ-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference C.J. Rao, A.K. Murthy, J.N. Shoolery, Org. Magn. Resonance 21, 77 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3