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1,1,1-trifluoro-[2-methyl-6-(methyl-D3)phenyl ester]methanesulfonic acid
SpectraBase Compound ID HzmKO378iXA
InChI InChI=1S/C9H9F3O3S/c1-6-4-3-5-7(2)8(6)15-16(13,14)9(10,11)12/h3-5H,1-2H3/i1D3
InChIKey ALJAHPWNRXXSSU-FIBGUPNXSA-N
Mol Weight 257.24 g/mol
Molecular Formula C9H62D3F3O3S
Exact Mass 257.04128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXmaETIBvtY
Name 1,1,1-trifluoro-[2-methyl-6-(methyl-D3)phenyl ester]methanesulfonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6D3F3O3S
InChI InChI=1S/C9H9F3O3S/c1-6-4-3-5-7(2)8(6)15-16(13,14)9(10,11)12/h3-5H,1-2H3/i1D3
InChIKey ALJAHPWNRXXSSU-FIBGUPNXSA-N
Literature Reference DOI 10.1002/adsc.201000651
Molecular Weight 257.242 g/mol
SMILES c1(OS(=O)(C(F)(F)F)=O)c(cccc1C)C([2D])([2D])[2D]
SPLASH splash10-00di-2910000000-74ddafa6baeb8b201396
Source of Spectrum ASC-352-3267/SM7-7_2
Wiley ID 1764191