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ethyl 4-((3aS,4S,4aR,7aS,8S,8aS)-5,7-dioxo-3-(p-tolyl)-4a,5,7,7a,8,8a-hexahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-6(4H)-yl)benzoate

View entire compound with spectra: 1 NMR

ethyl 4-((3aS,4S,4aR,7aS,8S,8aS)-5,7-dioxo-3-(p-tolyl)-4a,5,7,7a,8,8a-hexahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-6(4H)-yl)benzoate
SpectraBase Compound ID BBtgBom18w7
InChI InChI=1S/C26H24N2O5/c1-3-32-26(31)15-8-10-16(11-9-15)28-24(29)19-17-12-18(20(19)25(28)30)23-21(17)22(27-33-23)14-6-4-13(2)5-7-14/h4-11,17-21,23H,3,12H2,1-2H3
InChIKey AKZGLKJMAMTSDA-UHFFFAOYSA-N
Mol Weight 444.49 g/mol
Molecular Formula C26H24N2O5
Exact Mass 444.168522 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1OQiZVIs5IJ
Name ethyl 4-((3aS,4S,4aR,7aS,8S,8aS)-5,7-dioxo-3-(p-tolyl)-4a,5,7,7a,8,8a-hexahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-6(4H)-yl)benzoate
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/C26H24N2O5/c1-3-32-26(31)15-8-10-16(11-9-15)28-24(29)19-17-12-18(20(19)25(28)30)23-21(17)22(27-33-23)14-6-4-13(2)5-7-14/h4-11,17-21,23H,3,12H2,1-2H3
InChIKey AKZGLKJMAMTSDA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7801
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: F31126; Labnumber: NNN-K346