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3-[5-(HYDROXYMETHYL)-2-FURYL]-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER, BENZOATE (ESTER)
SpectraBase Compound ID DHjxlAmmgkA
InChI InChI=1S/C18H14O5S/c1-21-18(20)16-14(9-10-24-16)15-8-7-13(23-15)11-22-17(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey IYDUFWJLOLJDKH-UHFFFAOYSA-N
Mol Weight 342.37 g/mol
Molecular Formula C18H14O5S
Exact Mass 342.056195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ottQeN6Bco
Name 3-[5-(HYDROXYMETHYL)-2-FURYL]-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER, BENZOATE (ESTER)
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O5S
InChI InChI=1S/C18H14O5S/c1-21-18(20)16-14(9-10-24-16)15-8-7-13(23-15)11-22-17(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey IYDUFWJLOLJDKH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 89-91.5C
Molecular Weight 342.37
Solvent CDCl3; Reference=TMS; Temperature 297K