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1-oxo-2-(1-(pyridin-4-yl)ethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

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1-oxo-2-(1-(pyridin-4-yl)ethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
SpectraBase Compound ID 8GAigTKGiHP
InChI InChI=1S/C16H16N2O4/c1-9(10-3-6-17-7-4-10)18-8-16-5-2-11(22-16)12(15(20)21)13(16)14(18)19/h2-7,9,11-13H,8H2,1H3,(H,20,21)/t9?,11-,12-,13+,16-/m0/s1
InChIKey IZTDDJXWSQKAAY-IOJFDYTDSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HjiUO2jxIKk
Name 1-oxo-2-(1-(pyridin-4-yl)ethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
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/C16H16N2O4/c1-9(10-3-6-17-7-4-10)18-8-16-5-2-11(22-16)12(15(20)21)13(16)14(18)19/h2-7,9,11-13H,8H2,1H3,(H,20,21)/t9?,11-,12-,13+,16-/m0/s1
InChIKey IZTDDJXWSQKAAY-IOJFDYTDSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_8504
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: ZERO/005262; IOH_ID: IOH-015509