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7,8-Dihydro-3-methyl-5-phenyl-7-(4-tolyl)-6H-isoxazolo(4,5-B)azepine
SpectraBase Compound ID EbPNLXVWdks
InChI InChI=1S/C21H20N2O/c1-14-8-10-16(11-9-14)18-12-19(17-6-4-3-5-7-17)22-21-15(2)23-24-20(21)13-18/h3-11,18H,12-13H2,1-2H3
InChIKey NQIGIWRUYITTME-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C21H20N2O
Exact Mass 316.157563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJJAjNzdBnT
Name 7,8-Dihydro-3-methyl-5-phenyl-7-(4-tolyl)-6H-isoxazolo(4,5-B)azepine
CAS Registry Number 84551-31-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20N2O
InChI InChI=1S/C21H20N2O/c1-14-8-10-16(11-9-14)18-12-19(17-6-4-3-5-7-17)22-21-15(2)23-24-20(21)13-18/h3-11,18H,12-13H2,1-2H3
InChIKey NQIGIWRUYITTME-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