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2-furancarboxylic acid, 5-[[(2-carboxyethyl)thio]methyl]-
SpectraBase Compound ID 6X9ypxlC0Ed
InChI InChI=1S/C9H10O5S/c10-8(11)3-4-15-5-6-1-2-7(14-6)9(12)13/h1-2H,3-5H2,(H,10,11)(H,12,13)
InChIKey PKQXQTHFKMCOOE-UHFFFAOYSA-N
Mol Weight 230.23 g/mol
Molecular Formula C9H10O5S
Exact Mass 230.024895 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8mOPcqBHoEJ
Name 2-furancarboxylic acid, 5-[[(2-carboxyethyl)thio]methyl]-
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/C9H10O5S/c10-8(11)3-4-15-5-6-1-2-7(14-6)9(12)13/h1-2H,3-5H2,(H,10,11)(H,12,13)
InChIKey PKQXQTHFKMCOOE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7506
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/10329201