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

View entire compound with spectra: 1 MS (GC)

3-Thiophenecarboxylic acid, 2-(heptadecafluorooctyl)-4-hydroxy-, ethyl ester
SpectraBase Compound ID 9BByXugNEG1
InChI InChI=1S/C15H7F17O3S/c1-2-35-7(34)5-4(33)3-36-6(5)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h3,33H,2H2,1H3
InChIKey XYCFIAYVIYGTCP-UHFFFAOYSA-N
Mol Weight 590.25 g/mol
Molecular Formula C15H7F17O3S
Exact Mass 589.984444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KJOffpWdN4
Name 3-Thiophenecarboxylic acid, 2-(heptadecafluorooctyl)-4-hydroxy-, ethyl ester
Alternate Name(s) 3-Hydroxy-5-octylthiophenyl-4-ethanoate Ethyl 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-hydroxy-3-thiophenecarboxylate
CAS Registry Number 107112-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H7F17O3S
InChI InChI=1S/C15H7F17O3S/c1-2-35-7(34)5-4(33)3-36-6(5)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h3,33H,2H2,1H3
InChIKey XYCFIAYVIYGTCP-UHFFFAOYSA-N
Molecular Weight 590.251 g/mol
SMILES Oc1c(c(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)sc1)C(=O)OCC
SPLASH splash10-002e-9600070000-e4c651b203b44b5637a1
Source of Spectrum F-42-667-7
Wiley ID 1409274