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4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-2-yl]benzonitrile
SpectraBase Compound ID 5AG4GiwkWm
InChI InChI=1S/C15H18N2O/c16-9-11-5-7-12(8-6-11)15-17-10-13-3-1-2-4-14(13)18-15/h5-8,13-15,17H,1-4,10H2/t13-,14+,15?/m1/s1
InChIKey CVORWLFZJIYMJW-GNXJLENFSA-N
Mol Weight 242.32 g/mol
Molecular Formula C15H18N2O
Exact Mass 242.141913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jwxn6CpIt4O
Name 4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-2-yl]benzonitrile
Compound Number 2BB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18N2O
InChI InChI=1S/C15H18N2O/c16-9-11-5-7-12(8-6-11)15-17-10-13-3-1-2-4-14(13)18-15/h5-8,13-15,17H,1-4,10H2/t13-,14+,15?/m1/s1
InChIKey CVORWLFZJIYMJW-GNXJLENFSA-N
Literature Reference Author K.NEUVONEN,F.FUELOEP,H.NEUVONEN,A.KOCH,E.KLEINPETER,K.PIHLAJ A
Literature Reference Citation J.ORG.CHEM.,66,4132(2001)
Literature Reference DOI 10.1021/jo001114w
Molecular Weight 242.321 g/mol
Solvent CDCl3;0.2M
Source File Reference UWMS27425