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Rel-(4aR, 9S,11aR,12R,12aS)-9-ethyl-12-methyl-perhydro-pyrido(1,2-C)(1,3)benzoxazepine

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Rel-(4aR, 9S,11aR,12R,12aS)-9-ethyl-12-methyl-perhydro-pyrido(1,2-C)(1,3)benzoxazepine
SpectraBase Compound ID Iznnfzg75EK
InChI InChI=1S/C16H29NO/c1-3-13-8-9-15-12(2)14-6-4-5-7-16(14)18-11-17(15)10-13/h12-16H,3-11H2,1-2H3
InChIKey VQGMZUVOTPPRKB-UHFFFAOYSA-N
Mol Weight 251.41 g/mol
Molecular Formula C16H29NO
Exact Mass 251.224915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BOK0yX6FH0
Name Rel-(4aR, 9S,11aR,12R,12aS)-9-ethyl-12-methyl-perhydro-pyrido(1,2-C)(1,3)benzoxazepine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H29NO
InChI InChI=1S/C16H29NO/c1-3-13-8-9-15-12(2)14-6-4-5-7-16(14)18-11-17(15)10-13/h12-16H,3-11H2,1-2H3
InChIKey VQGMZUVOTPPRKB-UHFFFAOYSA-N
Instrument Name Jeol GX-270
Literature Reference T.A. Crabb, A. Fallah, J. Chem. Soc. Perkin II 1335 (1992).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3