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7-(2,4-Dichloro-phenyl)-7,8-dihydro-3-methyl-5-(2-thienyl)-6H-isoxazolo(4,5-B)azepine
SpectraBase Compound ID AYAMiByd4Ri
InChI InChI=1S/C18H14Cl2N2OS/c1-10-18-16(23-22-10)8-11(13-5-4-12(19)9-14(13)20)7-15(21-18)17-3-2-6-24-17/h2-6,9,11H,7-8H2,1H3
InChIKey PVBXVAONRWZTOC-UHFFFAOYSA-N
Mol Weight 377.29 g/mol
Molecular Formula C18H14Cl2N2OS
Exact Mass 376.02039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DpvLlzqPaDh
Name 7-(2,4-Dichloro-phenyl)-7,8-dihydro-3-methyl-5-(2-thienyl)-6H-isoxazolo(4,5-B)azepine
CAS Registry Number 77102-79-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H14Cl2N2OS
InChI InChI=1S/C18H14Cl2N2OS/c1-10-18-16(23-22-10)8-11(13-5-4-12(19)9-14(13)20)7-15(21-18)17-3-2-6-24-17/h2-6,9,11H,7-8H2,1H3
InChIKey PVBXVAONRWZTOC-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