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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
Mol Weight 308.35 g/mol
Molecular Formula C15H16O5S
Exact Mass 308.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46VHFEwOaRq
Name 5-(([(4-Acetyl-2,5-dimethyl-3-furyl)methyl]sulfanyl)methyl)-2-furoic acid
Alternate Name(s) 5-[(4-acetyl-2,5-dimethyl-3-furyl)methylsulfanylmethyl]furan-2-carboxylic acid 5-[(4-acetyl-2,5-dimethylfuran-3-yl)methylsulfanylmethyl]furan-2-carboxylic acid 5-[(4-ethanoyl-2,5-dimethyl-furan-3-yl)methylsulfanylmethyl]furan-2-carboxylic acid 5-[[(4-acetyl-2,5-dimethyl-3-furanyl)methylthio]methyl]-2-furancarboxylic acid 5-[[(4-acetyl-2,5-dimethyl-3-furyl)methylthio]methyl]-2-furoic acid Furane-2-carboxylic acid, 5-(4-acetyl-2,5-dimethyl-3-furylmethylthiomethyl)-
CAS Registry Number 351065-51-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES OC(c1oc(CSCc2c(c(oc2C)C)C(=O)C)cc1)=O
SPLASH splash10-001i-2900000000-a7a78cf9ad28b19a7e4f
Wiley ID 1455696