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4-[(sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid
SpectraBase Compound ID DqaXhWVN5C4
InChI InChI=1S/C11H16O3S/c1-4-7(2)15-6-9-5-10(11(12)13)14-8(9)3/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKey BLQZTMZQZKDDTO-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4aosOzoG9a5
Name 4-[(sec-butylsulfanyl)methyl]-5-methyl-2-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/C11H16O3S/c1-4-7(2)15-6-9-5-10(11(12)13)14-8(9)3/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKey BLQZTMZQZKDDTO-UHFFFAOYSA-N
NMR Offset 16.5733
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2715
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/6068172; Labnumber: LP-2300227; IOH_ID: IOH-002716
Temperature 313 °C