5-(([(4-Acetyl-2,5-dimethyl-3-furyl)methyl]sulfanyl)methyl)-2-furoic acid

SpectraBase Compound ID	4H08QCAawi3
InChI	InChI=1S/C15H16O5S/c1-8(16)14-10(3)19-9(2)12(14)7-21-6-11-4-5-13(20-11)15(17)18/h4-5H,6-7H2,1-3H3,(H,17,18)
InChIKey	BANBAKFJZYPYHY-UHFFFAOYSA-N Google Search
Mol Weight	308.35 g/mol
Molecular Formula	C15H16O5S
Exact Mass	308.071845 g/mol

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SpectraBase Spectrum ID	5PvcKBazHVb
Name	2-furancarboxylic acid, 5-[[[(4-acetyl-2,5-dimethyl-3-furanyl)methyl]thio]methyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	308.071844784 u
Formula	C15H16O5S
InChI	InChI=1S/C15H16O5S/c1-8(16)14-10(3)19-9(2)12(14)7-21-6-11-4-5-13(20-11)15(17)18/h4-5H,6-7H2,1-3H3,(H,17,18)
InChIKey	BANBAKFJZYPYHY-UHFFFAOYSA-N
Molecular Weight	308.348 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_9467
Solvent	DMSO-d6
Source	Vendor ID: NMR/9312735; Lab Info: LP; Lab Number: LP-2300532