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5-(hydroxymethyl)-2-methyl-4-(phenylsulfanyl)-3-thiophenecarboxylic acid

View entire compound with spectra: 1 NMR

5-(hydroxymethyl)-2-methyl-4-(phenylsulfanyl)-3-thiophenecarboxylic acid
SpectraBase Compound ID KGhr2LjV1BZ
InChI InChI=1S/C13H12O3S2/c1-8-11(13(15)16)12(10(7-14)17-8)18-9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,15,16)
InChIKey LLMBBGTWNBZVGS-UHFFFAOYSA-N
Mol Weight 280.36 g/mol
Molecular Formula C13H12O3S2
Exact Mass 280.022787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ByNFFru5dvi
Name 5-(hydroxymethyl)-2-methyl-4-(phenylsulfanyl)-3-thiophenecarboxylic 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/C13H12O3S2/c1-8-11(13(15)16)12(10(7-14)17-8)18-9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,15,16)
InChIKey LLMBBGTWNBZVGS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1805
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: ZI/7119874; Labnumber: BAM-4621; IOH_ID: IOH-001806
Temperature 303 °C