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5-tert-butyl-2-{[(2-carboxyphenyl)sulfanyl]methyl}-3-furoic acid
SpectraBase Compound ID BzlqjmHbVvE
InChI InChI=1S/C17H18O5S/c1-17(2,3)14-8-11(16(20)21)12(22-14)9-23-13-7-5-4-6-10(13)15(18)19/h4-8H,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKey JVAMTIBJUBEHSA-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C17H18O5S
Exact Mass 334.087495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6m0dwmgmtJc
Name 5-tert-butyl-2-{[(2-carboxyphenyl)sulfanyl]methyl}-3-furoic 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/C17H18O5S/c1-17(2,3)14-8-11(16(20)21)12(22-14)9-23-13-7-5-4-6-10(13)15(18)19/h4-8H,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKey JVAMTIBJUBEHSA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2217
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/9312741; Labnumber: LP-2300538