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3,4-Furandicarboxylic acid, 2-(ethylthio)-5-(trifluoroacetyl)-, dimethyl ester
SpectraBase Compound ID ESUy5flAe2x
InChI InChI=1S/C12H11F3O6S/c1-4-22-11-6(10(18)20-3)5(9(17)19-2)7(21-11)8(16)12(13,14)15/h4H2,1-3H3
InChIKey TXSAFVOBVVXHJO-UHFFFAOYSA-N
Mol Weight 340.27 g/mol
Molecular Formula C12H11F3O6S
Exact Mass 340.022844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll4nOqH6PQU
Name 3,4-Furandicarboxylic acid, 2-(ethylthio)-5-(trifluoroacetyl)-, dimethyl ester
Alternate Name(s) 2-Ethylsulfenyl-3,4-dimethoxycarbonyl-5-trifuoroacetyl-furane Dimethyl 2-(ethylsulfanyl)-5-(trifluoroacetyl)-3,4-furandicarboxylate
CAS Registry Number 96088-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F3O6S
InChI InChI=1S/C12H11F3O6S/c1-4-22-11-6(10(18)20-3)5(9(17)19-2)7(21-11)8(16)12(13,14)15/h4H2,1-3H3
InChIKey TXSAFVOBVVXHJO-UHFFFAOYSA-N
Molecular Weight 340.269 g/mol
SMILES c1(c(oc(c1C(=O)OC)SCC)C(C(F)(F)F)=O)C(=O)OC
SPLASH splash10-0006-9001000000-5ab7ea324b82ffcdc4d6
Source of Spectrum K-118-792-3
Wiley ID 1334804