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2-[(trifluoromethyl)thio]acetic acid 3-iodobenzyl ester
SpectraBase Compound ID 307pnkLw6uR
InChI InChI=1S/C10H8F3IO2S/c11-10(12,13)17-6-9(15)16-5-7-2-1-3-8(14)4-7/h1-4H,5-6H2
InChIKey KRBOVQSDPOENCL-UHFFFAOYSA-N
Mol Weight 376.13 g/mol
Molecular Formula C10H8F3IO2S
Exact Mass 375.92418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaVXEd5mVAj
Name 2-[(trifluoromethyl)thio]acetic acid 3-iodobenzyl ester
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.924180159 u
Formula C10H8F3IO2S
InChI InChI=1S/C10H8F3IO2S/c11-10(12,13)17-6-9(15)16-5-7-2-1-3-8(14)4-7/h1-4H,5-6H2
InChIKey KRBOVQSDPOENCL-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 376.132 g/mol
Quality 173
Reported Formula C10H8F3O2SI
SMILES C(SCC(OCC1=CC=CC(=C1)I)=O)(F)(F)F
SPLASH splash10-001i-2191000000-78f5f15f6dabc123ad57
Source of Spectrum QE-22-SM26-2ac (DOI: 10.1002/chem.201602730)
Wiley ID 1904992