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4-((3aS,4S,4aR,7aS,8S,8aS)-3-(4-chlorophenyl)-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: 1 NMR

4-((3aS,4S,4aR,7aS,8S,8aS)-3-(4-chlorophenyl)-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 KrU5VtgCF96
InChI InChI=1S/C24H19ClN2O5/c1-11(28)31-15-8-6-14(7-9-15)27-23(29)18-16-10-17(19(18)24(27)30)22-20(16)21(26-32-22)12-2-4-13(25)5-3-12/h2-9,16-20,22H,10H2,1H3
InChIKey GYWCBKGWZDIYAC-UHFFFAOYSA-N
Mol Weight 450.88 g/mol
Molecular Formula C24H19ClN2O5
Exact Mass 450.098249 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8BCHCWy1g8
Name 4-((3aS,4S,4aR,7aS,8S,8aS)-3-(4-chlorophenyl)-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 © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H19ClN2O5/c1-11(28)31-15-8-6-14(7-9-15)27-23(29)18-16-10-17(19(18)24(27)30)22-20(16)21(26-32-22)12-2-4-13(25)5-3-12/h2-9,16-20,22H,10H2,1H3
InChIKey GYWCBKGWZDIYAC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7806
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: F31132; Labnumber: NNN-K352