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4-((3aS,4S,4aR,7aS,8S,8aS)-3-(4-methoxyphenyl)-5,7-dioxo-4a,5,7,7a,8,8a-hexahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-6(4H)-yl)phenyl acetate

View entire compound with spectra: 2 NMR

4-((3aS,4S,4aR,7aS,8S,8aS)-3-(4-methoxyphenyl)-5,7-dioxo-4a,5,7,7a,8,8a-hexahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-6(4H)-yl)phenyl acetate
SpectraBase Compound ID 6UVz9x6UMzg
InChI InChI=1S/C25H22N2O6/c1-12(28)32-16-9-5-14(6-10-16)27-24(29)19-17-11-18(20(19)25(27)30)23-21(17)22(26-33-23)13-3-7-15(31-2)8-4-13/h3-10,17-21,23H,11H2,1-2H3
InChIKey ZGOYGPMYIGGZBU-UHFFFAOYSA-N
Mol Weight 446.46 g/mol
Molecular Formula C25H22N2O6
Exact Mass 446.147786 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2cHFja7tKvI
Name 4-((3aS,4S,4aR,7aS,8S,8aS)-3-(4-methoxyphenyl)-5,7-dioxo-4a,5,7,7a,8,8a-hexahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-6(4H)-yl)phenyl acetate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H22N2O6/c1-12(28)32-16-9-5-14(6-10-16)27-24(29)19-17-11-18(20(19)25(27)30)23-21(17)22(26-33-23)13-3-7-15(31-2)8-4-13/h3-10,17-21,23H,11H2,1-2H3
InChIKey ZGOYGPMYIGGZBU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7809
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: F31136; Labnumber: NNN-K356