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3-Thiophenecarboxylic acid, 4-hydroxy-2-(tridecafluorohexyl)-, ethyl ester

View entire compound with spectra: 1 MS (GC)

3-Thiophenecarboxylic acid, 4-hydroxy-2-(tridecafluorohexyl)-, ethyl ester
SpectraBase Compound ID 9ZklqLxDO24
InChI InChI=1S/C13H7F13O3S/c1-2-29-7(28)5-4(27)3-30-6(5)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h3,27H,2H2,1H3
InChIKey PFYHYMYHABCZDF-UHFFFAOYSA-N
Mol Weight 490.24 g/mol
Molecular Formula C13H7F13O3S
Exact Mass 489.990831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3JXY6bHscS
Name 3-Thiophenecarboxylic acid, 4-hydroxy-2-(tridecafluorohexyl)-, ethyl ester
Alternate Name(s) 3-Hydroxy-5-hexylthiophenyl-4-ethanoate Ethyl 4-hydroxy-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-3-thiophenecarboxylate
CAS Registry Number 107112-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7F13O3S
InChI InChI=1S/C13H7F13O3S/c1-2-29-7(28)5-4(27)3-30-6(5)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h3,27H,2H2,1H3
InChIKey PFYHYMYHABCZDF-UHFFFAOYSA-N
Molecular Weight 490.235 g/mol
SMILES Oc1c(c(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)sc1)C(=O)OCC
SPLASH splash10-0005-8200900000-0032bcff98db85761762
Source of Spectrum F-42-667-7
Wiley ID 1397125