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3,4-Furandicarboxylic acid, 2-[(1-methylethyl)thio]-5-(trifluoroacetyl)-, dimethyl ester
SpectraBase Compound ID CqHgmIwym9G
InChI InChI=1S/C13H13F3O6S/c1-5(2)23-12-7(11(19)21-4)6(10(18)20-3)8(22-12)9(17)13(14,15)16/h5H,1-4H3
InChIKey CVPBOGCZZNPRGO-UHFFFAOYSA-N
Mol Weight 354.3 g/mol
Molecular Formula C13H13F3O6S
Exact Mass 354.038494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VlYXSuZJhj
Name 3,4-Furandicarboxylic acid, 2-[(1-methylethyl)thio]-5-(trifluoroacetyl)-, dimethyl ester
CAS Registry Number 96088-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3O6S
InChI InChI=1S/C13H13F3O6S/c1-5(2)23-12-7(11(19)21-4)6(10(18)20-3)8(22-12)9(17)13(14,15)16/h5H,1-4H3
InChIKey CVPBOGCZZNPRGO-UHFFFAOYSA-N
Molecular Weight 354.296 g/mol
SMILES c1(c(oc(c1C(=O)OC)SC(C)C)C(C(F)(F)F)=O)C(=O)OC
SPLASH splash10-001l-9421000000-7b9b7c510c063d2bcdd1
Source of Spectrum K-118-793-3
Synonyms 2-Propylsulfenyl-3,4-dimethoxycarbonyl-5-trifuoroacetyl-furane Dimethyl 2-(isopropylsulfanyl)-5-(trifluoroacetyl)-3,4-furandicarboxylate
Wiley ID 1344236