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ethyl 4-((3aS,4S,4aR,7aS,8S,8aS)-3-(4-(cyanomethoxy)phenyl)-5,7-dioxo-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)-3-(4-(cyanomethoxy)phenyl)-5,7-dioxo-4a,5,7,7a,8,8a-hexahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-6(4H)-yl)benzoate
SpectraBase Compound ID IMWn6lUG9hD
InChI InChI=1S/C27H23N3O6/c1-2-34-27(33)15-3-7-16(8-4-15)30-25(31)20-18-13-19(21(20)26(30)32)24-22(18)23(29-36-24)14-5-9-17(10-6-14)35-12-11-28/h3-10,18-22,24H,2,12-13H2,1H3
InChIKey CYYRCAGFNPTTNN-UHFFFAOYSA-N
Mol Weight 485.5 g/mol
Molecular Formula C27H23N3O6
Exact Mass 485.158685 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IBedrNxy0Ux
Name ethyl 4-((3aS,4S,4aR,7aS,8S,8aS)-3-(4-(cyanomethoxy)phenyl)-5,7-dioxo-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/C27H23N3O6/c1-2-34-27(33)15-3-7-16(8-4-15)30-25(31)20-18-13-19(21(20)26(30)32)24-22(18)23(29-36-24)14-5-9-17(10-6-14)35-12-11-28/h3-10,18-22,24H,2,12-13H2,1H3
InChIKey CYYRCAGFNPTTNN-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7805
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: F31131; Labnumber: NNN-K351