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2-(4-((3aS,4S,4aR,7aS,8S,8aS)-5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-3-yl)phenoxy)acetonitrile

View entire compound with spectra: 1 NMR

2-(4-((3aS,4S,4aR,7aS,8S,8aS)-5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-3-yl)phenoxy)acetonitrile
SpectraBase Compound ID KHADoRpLZwS
InChI InChI=1S/C24H19N3O4/c25-10-11-30-15-8-6-13(7-9-15)21-20-16-12-17(22(20)31-26-21)19-18(16)23(28)27(24(19)29)14-4-2-1-3-5-14/h1-9,16-20,22H,11-12H2
InChIKey OBVYLNOOHNFOAS-UHFFFAOYSA-N
Mol Weight 413.43 g/mol
Molecular Formula C24H19N3O4
Exact Mass 413.137556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hk9oY8S3qD0
Name 2-(4-((3aS,4S,4aR,7aS,8S,8aS)-5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindol-3-yl)phenoxy)acetonitrile
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/C24H19N3O4/c25-10-11-30-15-8-6-13(7-9-15)21-20-16-12-17(22(20)31-26-21)19-18(16)23(28)27(24(19)29)14-4-2-1-3-5-14/h1-9,16-20,22H,11-12H2
InChIKey OBVYLNOOHNFOAS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7788
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: F31113; Labnumber: NNN-K333