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Ethyl alpha-(phenylthio)-alpha-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ylthio)acetate

View entire compound with spectra: 2 NMR

Ethyl alpha-(phenylthio)-alpha-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ylthio)acetate
SpectraBase Compound ID GXGxgucOnAk
InChI InChI=1S/C18H15F13O2S2/c1-2-33-11(32)12(35-10-6-4-3-5-7-10)34-9-8-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h3-7,12H,2,8-9H2,1H3
InChIKey RQYYVQWDRAGKHC-UHFFFAOYSA-N
Mol Weight 574.42 g/mol
Molecular Formula C18H15F13O2S2
Exact Mass 574.030588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEGtFYlsUF6
Name Ethyl alpha-(phenylthio)-alpha-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ylthio)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 574.030588188 u
Formula C18H15F13O2S2
InChI InChI=1S/C18H15F13O2S2/c1-2-33-11(32)12(35-10-6-4-3-5-7-10)34-9-8-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h3-7,12H,2,8-9H2,1H3
InChIKey RQYYVQWDRAGKHC-UHFFFAOYSA-N
Molecular Weight 574.415 g/mol
SMILES C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(CCSC(C(OCC)=O)Sc1ccccc1)(F)F)(F)(F)F