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ethyl 2,6-dibenzyl-1,3,5,7-tetraoxo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
SpectraBase Compound ID 6s1V5mDOAte
InChI InChI=1S/C29H26N2O6/c1-2-37-29(36)19-13-18-21-23(27(34)30(25(21)32)14-16-9-5-3-6-10-16)20(19)24-22(18)26(33)31(28(24)35)15-17-11-7-4-8-12-17/h3-13,18,20-24H,2,14-15H2,1H3/t18-,20+,21+,22-,23-,24-/m1/s1
InChIKey BARYKLHPXCQNKB-LZLYWRCYSA-N
Mol Weight 498.54 g/mol
Molecular Formula C29H26N2O6
Exact Mass 498.179087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Geeb0pF3yDo
Name ethyl 2,6-dibenzyl-1,3,5,7-tetraoxo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H26N2O6/c1-2-37-29(36)19-13-18-21-23(27(34)30(25(21)32)14-16-9-5-3-6-10-16)20(19)24-22(18)26(33)31(28(24)35)15-17-11-7-4-8-12-17/h3-13,18,20-24H,2,14-15H2,1H3/t18-,20+,21+,22-,23-,24-/m1/s1
InChIKey BARYKLHPXCQNKB-LZLYWRCYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_475
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: AG-205/5058311; Labnumber: BOS-293; IOH_ID: IOH-007476