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3-{[1-(4-carboxyphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}-1-ethoxy-1-oxo-2-propanaminium chloride
SpectraBase Compound ID 1tbEe9R7Sw7
InChI InChI=1S/C16H18N2O6S.ClH/c1-2-24-16(23)11(17)8-25-12-7-13(19)18(14(12)20)10-5-3-9(4-6-10)15(21)22;/h3-6,11-12H,2,7-8,17H2,1H3,(H,21,22);1H
InChIKey CBFUKPTWHQLZGD-UHFFFAOYSA-N
Mol Weight 402.85 g/mol
Molecular Formula C16H19ClN2O6S
Exact Mass 402.065235 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5iOZdd5MpoA
Name 3-{[1-(4-carboxyphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}-1-ethoxy-1-oxo-2-propanaminium chloride
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/C16H18N2O6S.ClH/c1-2-24-16(23)11(17)8-25-12-7-13(19)18(14(12)20)10-5-3-9(4-6-10)15(21)22;/h3-6,11-12H,2,7-8,17H2,1H3,(H,21,22);1H
InChIKey CBFUKPTWHQLZGD-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2070
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/9312102; Labnumber: PE-0119912