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3,4-Furandicarboxylic acid, 2-(methylthio)-5-(trifluoroacetyl)-, dimethyl ester
SpectraBase Compound ID 5Xag1i4ooKk
InChI InChI=1S/C11H9F3O6S/c1-18-8(16)4-5(9(17)19-2)10(21-3)20-6(4)7(15)11(12,13)14/h1-3H3
InChIKey BWKJTHZGZPGIHX-UHFFFAOYSA-N
Mol Weight 326.24 g/mol
Molecular Formula C11H9F3O6S
Exact Mass 326.007194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YzvRZBff0u
Name 3,4-Furandicarboxylic acid, 2-(methylthio)-5-(trifluoroacetyl)-, dimethyl ester
CAS Registry Number 82979-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9F3O6S
InChI InChI=1S/C11H9F3O6S/c1-18-8(16)4-5(9(17)19-2)10(21-3)20-6(4)7(15)11(12,13)14/h1-3H3
InChIKey BWKJTHZGZPGIHX-UHFFFAOYSA-N
Molecular Weight 326.242 g/mol
SMILES c1(c(oc(c1C(=O)OC)SC)C(C(F)(F)F)=O)C(=O)OC
SPLASH splash10-054o-9373000000-e6319227bf75692ae776
Source of Spectrum K-118-792-3
Synonyms 2-Methylsulfenyl-3,4-dimethoxycarbonyl-5-trifuoroacetyl-furane Dimethyl 2-(methylsulfanyl)-5-(trifluoroacetyl)-3,4-furandicarboxylate
Wiley ID 1324331