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5-Methylsulfanylmethyl-benzofuran-2-carboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Methylsulfanylmethyl-benzofuran-2-carboxylic acid
SpectraBase Compound ID 37gmpUFaGhU
InChI InChI=1S/C11H10O3S/c1-15-6-7-2-3-9-8(4-7)5-10(14-9)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey HKZRIEZNQUUICN-UHFFFAOYSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J4DtgAaAxEH
Name 2-benzofurancarboxylic acid, 5-[(methylthio)methyl]-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.035065353 u
Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c1-15-6-7-2-3-9-8(4-7)5-10(14-9)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey HKZRIEZNQUUICN-UHFFFAOYSA-N
Molecular Weight 222.258 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15743
Solvent DMSO-d6
Source Vendor ID: NMR/11220548; Lab Info: AMI; Lab Number: 3641