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2-Thiophenecarboxylic acid, 3-hydroxy-5-(tridecafluorohexyl)-, methyl ester

View entire compound with spectra: 1 MS (GC)

2-Thiophenecarboxylic acid, 3-hydroxy-5-(tridecafluorohexyl)-, methyl ester
SpectraBase Compound ID 48oQmqLGUwh
InChI InChI=1S/C12H5F13O3S/c1-28-6(27)5-3(26)2-4(29-5)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2,26H,1H3
InChIKey INOOSZINGMQMID-UHFFFAOYSA-N
Mol Weight 476.21 g/mol
Molecular Formula C12H5F13O3S
Exact Mass 475.975181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgVAX8TTyEj
Name 2-Thiophenecarboxylic acid, 3-hydroxy-5-(tridecafluorohexyl)-, methyl ester
Alternate Name(s) 2-Hydroxy-5-hexylthiophenyl-4-ethylcarboxylate Methyl 3-hydroxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-thiophenecarboxylate
CAS Registry Number 107112-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H5F13O3S
InChI InChI=1S/C12H5F13O3S/c1-28-6(27)5-3(26)2-4(29-5)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2,26H,1H3
InChIKey INOOSZINGMQMID-UHFFFAOYSA-N
Molecular Weight 476.208 g/mol
SMILES Oc1cc(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)sc1C(=O)OC
SPLASH splash10-0006-1000900000-93db5a082b56468e381e
Source of Spectrum F-42-667-8
Wiley ID 1394179