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4-{[(2-furylmethyl)sulfanyl]methyl}benzoic acid
SpectraBase Compound ID LdjPc5njVhl
InChI InChI=1S/C13H12O3S/c14-13(15)11-5-3-10(4-6-11)8-17-9-12-2-1-7-16-12/h1-7H,8-9H2,(H,14,15)
InChIKey YKWFODPJEKPJPA-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C13H12O3S
Exact Mass 248.050715 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 33KL6Hpjnr4
Name 4-{[(2-furylmethyl)sulfanyl]methyl}benzoic 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/C13H12O3S/c14-13(15)11-5-3-10(4-6-11)8-17-9-12-2-1-7-16-12/h1-7H,8-9H2,(H,14,15)
InChIKey YKWFODPJEKPJPA-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_589
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/8023895; Labnumber: LP-0802266; IOH_ID: IOH-000590
Temperature 297 °C