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1,1,1-Trifluoro-N-(1,1,1-trifluoro-3-phenylpentan-3-yl)methanesulfonamide
SpectraBase Compound ID 9n0gIbJ8kv5
InChI InChI=1S/C12H13F6NO2S/c1-2-10(8-11(13,14)15,9-6-4-3-5-7-9)19-22(20,21)12(16,17)18/h3-7,19H,2,8H2,1H3
InChIKey VRMSXLSMLWBSRU-UHFFFAOYSA-N
Mol Weight 349.29 g/mol
Molecular Formula C12H13F6NO2S
Exact Mass 349.057119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNwVGHhrpTp
Name 1,1,1-Trifluoro-N-(1,1,1-trifluoro-3-phenylpentan-3-yl)methanesulfonamide
Appearance Yellow liquid
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Exact Mass 349.057118813 u
Formula C12H13F6NO2S
InChI InChI=1S/C12H13F6NO2S/c1-2-10(8-11(13,14)15,9-6-4-3-5-7-9)19-22(20,21)12(16,17)18/h3-7,19H,2,8H2,1H3
InChIKey VRMSXLSMLWBSRU-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201830
Molecular Weight 349.291 g/mol
Quality 314
Reported Formula C12H13NO2SF6
SMILES N(C(C=1C=CC=CC1)(CC(F)(F)F)CC)S(C(F)(F)F)(=O)=O
SPLASH splash10-00di-3359000000-135255a1c8ade1188ea4
Source of Spectrum QE-28-SM20-7s (DOI: 10.1002/chem.202201830)
Wiley ID 1900639