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2-P-Chlorophenyl-5,8-methano-4aR, 5,6S,7S,8,8aS-hexahydro-4H-3,1-benzoxazino(7,6-D)-3-phenylisoxazoline
SpectraBase Compound ID KqxaL4n85he
InChI InChI=1S/C22H19ClN2O2/c23-14-8-6-13(7-9-14)22-24-20-16-10-15(17(20)11-26-22)21-18(16)19(25-27-21)12-4-2-1-3-5-12/h1-9,15-18,20-21H,10-11H2/t15-,16+,17+,18-,20-,21+/m0/s1
InChIKey PPIDZKMCHVTZBS-XUJOMZSTSA-N
Mol Weight 378.86 g/mol
Molecular Formula C22H19ClN2O2
Exact Mass 378.113506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bMwh52tCiZ
Name 2-P-Chlorophenyl-5,8-methano-4aR, 5,6S,7S,8,8aS-hexahydro-4H-3,1-benzoxazino(7,6-D)-3-phenylisoxazoline
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Formula C22H19ClN2O2
InChI InChI=1S/C22H19ClN2O2/c23-14-8-6-13(7-9-14)22-24-20-16-10-15(17(20)11-26-22)21-18(16)19(25-27-21)12-4-2-1-3-5-12/h1-9,15-18,20-21H,10-11H2/t15-,16+,17+,18-,20-,21+/m0/s1
InChIKey PPIDZKMCHVTZBS-XUJOMZSTSA-N
Instrument Name Bruker WP-80
Literature Reference P. Sohar, G. Stajer, G. Bernath, Magn. Res. Chem. 25, 635 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3