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2-PARA-CHLOROPHENYL-3-PHENYL-1,2,4-OXADIAZOLINO-[5,4-B]-5,8-METHANO-2S8,3,4AR*,5,6S*,7S*,8,8AS*-OCTAHYDRO-4H-1,3-BENZOXAZINO-[7,6-D]-3-PHENYLISOXAZOLINE;COMPOU
SpectraBase Compound ID 9ssj8N6MTue
InChI InChI=1S/C29H24ClN3O3/c30-20-13-11-19(12-14-20)29-33(28(32-36-29)18-9-5-2-6-10-18)16-23-21-15-22(26(23)34-29)24-25(31-35-27(21)24)17-7-3-1-4-8-17/h1-14,21-24,26-27H,15-16H2/t21-,22-,23+,24-,26-,27-,29-/m1/s1
InChIKey ANXCWXAIDPFFOV-ZQDFQVFXSA-N
Mol Weight 497.98 g/mol
Molecular Formula C29H24ClN3O3
Exact Mass 497.150619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2Qov23iZwM
Name 2-PARA-CHLOROPHENYL-3-PHENYL-1,2,4-OXADIAZOLINO-[5,4-B]-5,8-METHANO-2S8,3,4AR*,5,6S*,7S*,8,8AS*-OCTAHYDRO-4H-1,3-BENZOXAZINO-[7,6-D]-3-PHENYLISOXAZOLINE;COMPOU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H24ClN3O3
InChI InChI=1S/C29H24ClN3O3/c30-20-13-11-19(12-14-20)29-33(28(32-36-29)18-9-5-2-6-10-18)16-23-21-15-22(26(23)34-29)24-25(31-35-27(21)24)17-7-3-1-4-8-17/h1-14,21-24,26-27H,15-16H2/t21-,22-,23+,24-,26-,27-,29-/m1/s1
InChIKey ANXCWXAIDPFFOV-ZQDFQVFXSA-N
Literature Reference Author P.SOHAR,G.STAJER,G.BERNATH
Literature Reference Citation MAGN.RES.CHEM.,25,635(1987)
Literature Reference DOI 10.1002/mrc.1260250715
Molecular Weight 497.981 g/mol
Solvent CDCl3
Source File Reference UWGB807