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2-P-Cl-ph-3-ph-1,2,4-oxadiazolino(5,4-B)-5,8-methano-2,3,4a,5,6,7,8,8a-octahydro-1,3-benzoxazino(7,6-D)-3ph-isoxazoline

View entire compound with spectra: 1 NMR

2-P-Cl-ph-3-ph-1,2,4-oxadiazolino(5,4-B)-5,8-methano-2,3,4a,5,6,7,8,8a-octahydro-1,3-benzoxazino(7,6-D)-3ph-isoxazoline
SpectraBase Compound ID LcBINTk8QiF
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?/m0/s1
InChIKey ANXCWXAIDPFFOV-XBORLLMFSA-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 GMxzki0pfrY
Name 2-P-Cl-ph-3-ph-1,2,4-oxadiazolino(5,4-B)-5,8-methano-2,3,4a,5,6,7,8,8a-octahydro-1,3-benzoxazino(7,6-D)-3ph-isoxazoline
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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?/m0/s1
InChIKey ANXCWXAIDPFFOV-XBORLLMFSA-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