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2-[(trifluoromethyl)thio]acetic acid 4-fluorobenzyl ester
SpectraBase Compound ID I1WdZXDZ3S1
InChI InChI=1S/C10H8F4O2S/c11-8-3-1-7(2-4-8)5-16-9(15)6-17-10(12,13)14/h1-4H,5-6H2
InChIKey VKORWURYNYMLSN-UHFFFAOYSA-N
Mol Weight 268.23 g/mol
Molecular Formula C10H8F4O2S
Exact Mass 268.018113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtS6RgmE3Ym
Name 2-[(trifluoromethyl)thio]acetic acid 4-fluorobenzyl ester
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.018113322 u
Formula C10H8F4O2S
InChI InChI=1S/C10H8F4O2S/c11-8-3-1-7(2-4-8)5-16-9(15)6-17-10(12,13)14/h1-4H,5-6H2
InChIKey VKORWURYNYMLSN-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 268.226 g/mol
Quality 75
Reported Formula C10H8F4O2S
SMILES C(SCC(OCC1=CC=C(C=C1)F)=O)(F)(F)F
SPLASH splash10-0a4i-0900000000-886b2b7396c56c5a5929
Source of Spectrum QE-22-SM26-2ab (DOI: 10.1002/chem.201602730)
Wiley ID 1904991