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N-trifluoroacetyl-S-heptafluorobutyryl-p-mercaptoaniline
SpectraBase Compound ID CX5kHqbYGuR
InChI InChI=1S/C12H5F10NO2S/c13-9(14,11(18,19)12(20,21)22)8(25)26-6-3-1-5(2-4-6)23-7(24)10(15,16)17/h1-4H,(H,23,24)
InChIKey RZRWLJQAJXSQRW-UHFFFAOYSA-N
Mol Weight 417.22 g/mol
Molecular Formula C12H5F10NO2S
Exact Mass 416.988131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CxhnMLuHg
Name N-trifluoroacetyl-S-heptafluorobutyryl-p-mercaptoaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H5F10NO2S
InChI InChI=1S/C12H5F10NO2S/c13-9(14,11(18,19)12(20,21)22)8(25)26-6-3-1-5(2-4-6)23-7(24)10(15,16)17/h1-4H,(H,23,24)
InChIKey RZRWLJQAJXSQRW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.4661
Molecular Weight 417.221 g/mol
SMILES N(c1ccc(cc1)SC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(=O)C(F)(F)F
SPLASH splash10-0100-5950200000-6e323498c61fb9b22729
Source of Spectrum RCM-24-2531-Figure2
Synonyms S-(4-(2,2,2-trifluoroacetamido)phenyl) 2,2,3,3,4,4,4-heptafluorobutanethioate
Wiley ID 1814652