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3-Thiophenecarboxylic acid, 4-hydroxy-2-(nonafluorobutyl)-, ethyl ester
SpectraBase Compound ID 7ECzL7GiDfM
InChI InChI=1S/C11H7F9O3S/c1-2-23-7(22)5-4(21)3-24-6(5)8(12,13)9(14,15)10(16,17)11(18,19)20/h3,21H,2H2,1H3
InChIKey KGRUOKLNXFGXID-UHFFFAOYSA-N
Mol Weight 390.22 g/mol
Molecular Formula C11H7F9O3S
Exact Mass 389.997219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rODq5gAaj0
Name 3-Thiophenecarboxylic acid, 4-hydroxy-2-(nonafluorobutyl)-, ethyl ester
CAS Registry Number 107112-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7F9O3S
InChI InChI=1S/C11H7F9O3S/c1-2-23-7(22)5-4(21)3-24-6(5)8(12,13)9(14,15)10(16,17)11(18,19)20/h3,21H,2H2,1H3
InChIKey KGRUOKLNXFGXID-UHFFFAOYSA-N
Molecular Weight 390.220 g/mol
SMILES Oc1c(c(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)sc1)C(=O)OCC
SPLASH splash10-0005-9007000000-017efa4d70a34d37fdfc
Source of Spectrum F-42-667-7
Synonyms 3-Hydroxy-5-butylthiophenyl-4-ethylcarboxylate Ethyl 4-hydroxy-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-thiophenecarboxylate
Wiley ID 1364475