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(3as,4S,4ar,7as,8S,8as)-6-(4-Acetylphenyl)-3-(p-tolyl)-4,4A,8,8A-tetrahydro-3ah-4,8-methanoisoxazolo[4,5-F]isoindole-5,7(6H,7ah)-dione

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(3as,4S,4ar,7as,8S,8as)-6-(4-Acetylphenyl)-3-(p-tolyl)-4,4A,8,8A-tetrahydro-3ah-4,8-methanoisoxazolo[4,5-F]isoindole-5,7(6H,7ah)-dione
SpectraBase Compound ID FTV52rOvI4W
InChI InChI=1S/C25H22N2O4/c1-12-3-5-15(6-4-12)22-21-17-11-18(23(21)31-26-22)20-19(17)24(29)27(25(20)30)16-9-7-14(8-10-16)13(2)28/h3-10,17-21,23H,11H2,1-2H3
InChIKey LIHHUAIRASNQRP-UHFFFAOYSA-N
Mol Weight 414.46 g/mol
Molecular Formula C25H22N2O4
Exact Mass 414.157957 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HxSNceqxBJy
Name (3aS,4S,4aR,7aS,8S,8aS)-6-(4-acetylphenyl)-3-(p-tolyl)-4,4a,8,8a-tetrahydro-3aH-4,8-methanoisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione
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/C25H22N2O4/c1-12-3-5-15(6-4-12)22-21-17-11-18(23(21)31-26-22)20-19(17)24(29)27(25(20)30)16-9-7-14(8-10-16)13(2)28/h3-10,17-21,23H,11H2,1-2H3
InChIKey LIHHUAIRASNQRP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7782
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: F31100; Labnumber: NNN-K319