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7,8-Dihydro-3-methyl-7-phenyl-5-(2-thienyl)-6H-isoxazolo(4,5-B)azepine

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7,8-Dihydro-3-methyl-7-phenyl-5-(2-thienyl)-6H-isoxazolo(4,5-B)azepine
SpectraBase Compound ID BgDlA5vUgmb
InChI InChI=1S/C18H16N2OS/c1-12-18-16(21-20-12)11-14(13-6-3-2-4-7-13)10-15(19-18)17-8-5-9-22-17/h2-9,14H,10-11H2,1H3
InChIKey BQEBWHBEMYKCIT-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C18H16N2OS
Exact Mass 308.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMfGsD8nkys
Name 7,8-Dihydro-3-methyl-7-phenyl-5-(2-thienyl)-6H-isoxazolo(4,5-B)azepine
CAS Registry Number 77102-77-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H16N2OS
InChI InChI=1S/C18H16N2OS/c1-12-18-16(21-20-12)11-14(13-6-3-2-4-7-13)10-15(19-18)17-8-5-9-22-17/h2-9,14H,10-11H2,1H3
InChIKey BQEBWHBEMYKCIT-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