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ethyl 4-((3aS,6R,7aR)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carbonyl)piperazine-1-carboxylate

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ethyl 4-((3aS,6R,7aR)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carbonyl)piperazine-1-carboxylate
SpectraBase Compound ID 2ii3Bft8rZt
InChI InChI=1S/C23H27N3O6/c1-3-31-22(29)25-12-10-24(11-13-25)20(27)18-17-8-9-23(32-17)14-26(21(28)19(18)23)15-4-6-16(30-2)7-5-15/h4-9,17-19H,3,10-14H2,1-2H3
InChIKey PUBGQMMCPHQVAW-UHFFFAOYSA-N
Mol Weight 441.48 g/mol
Molecular Formula C23H27N3O6
Exact Mass 441.189986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ENXrhNrHlla
Name ethyl 4-((3aS,6R,7aR)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carbonyl)piperazine-1-carboxylate
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/C23H27N3O6/c1-3-31-22(29)25-12-10-24(11-13-25)20(27)18-17-8-9-23(32-17)14-26(21(28)19(18)23)15-4-6-16(30-2)7-5-15/h4-9,17-19H,3,10-14H2,1-2H3
InChIKey PUBGQMMCPHQVAW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_76
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: F02695; Labnumber: ExLab-016641