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2-(5,6-dibromo-1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4-(methylthio)butanoic acid
SpectraBase Compound ID F33VfRo6V7o
InChI InChI=1S/C14H17Br2NO4S/c1-22-3-2-7(14(20)21)17-12(18)8-5-4-6(9(8)13(17)19)11(16)10(5)15/h5-11H,2-4H2,1H3,(H,20,21)
InChIKey OFWVXUGPCJUTIZ-UHFFFAOYSA-N
Mol Weight 455.16 g/mol
Molecular Formula C14H17Br2NO4S
Exact Mass 452.924505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7jEjFLhubmI
Name 2-(5,6-dibromo-1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4-(methylthio)butanoic 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/C14H17Br2NO4S/c1-22-3-2-7(14(20)21)17-12(18)8-5-4-6(9(8)13(17)19)11(16)10(5)15/h5-11H,2-4H2,1H3,(H,20,21)
InChIKey OFWVXUGPCJUTIZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_4500
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: NMR/11328551