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2-[(trifluoromethyl)thio]acetic acid 4-methylbenzyl ester
SpectraBase Compound ID DaqDMx5hlUE
InChI InChI=1S/C11H11F3O2S/c1-8-2-4-9(5-3-8)6-16-10(15)7-17-11(12,13)14/h2-5H,6-7H2,1H3
InChIKey FJOFWZKQIPBLJF-UHFFFAOYSA-N
Mol Weight 264.26 g/mol
Molecular Formula C11H11F3O2S
Exact Mass 264.043185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FTTCXLYmcS
Name 2-[(trifluoromethyl)thio]acetic acid 4-methylbenzyl ester
Appearance Colorless solid
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Exact Mass 264.043185255 u
Formula C11H11F3O2S
InChI InChI=1S/C11H11F3O2S/c1-8-2-4-9(5-3-8)6-16-10(15)7-17-11(12,13)14/h2-5H,6-7H2,1H3
InChIKey FJOFWZKQIPBLJF-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 264.262 g/mol
Quality 135
Reported Formula C11H11F3O2S
SMILES C(SCC(OCC1=CC=C(C=C1)C)=O)(F)(F)F
SPLASH splash10-0a4i-0910000000-7082aa338b65fcab8bf2
Source of Spectrum QE-22-SM25-2y (DOI: 10.1002/chem.201602730)
Wiley ID 1905019