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2,2,2-trifluoro-N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]acetamide
SpectraBase Compound ID CanPKy9Itsu
InChI InChI=1S/C17H14F3N3O5S/c1-2-9-29-13-8-4-7-12(23(27)28)15(13)14-10(21-16(24)17(18,19)20)5-3-6-11(14)22(25)26/h3-8H,2,9H2,1H3,(H,21,24)
InChIKey ICFPYJXSWSUROH-UHFFFAOYSA-N
Mol Weight 429.37 g/mol
Molecular Formula C17H14F3N3O5S
Exact Mass 429.060626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Km0cQ4jfxO
Name 2,2,2-trifluoro-N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]acetamide
Comments Less than 3 mono-isotopic peaks
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Formula C17H14F3N3O5S
InChI InChI=1S/C17H14F3N3O5S/c1-2-9-29-13-8-4-7-12(23(27)28)15(13)14-10(21-16(24)17(18,19)20)5-3-6-11(14)22(25)26/h3-8H,2,9H2,1H3,(H,21,24)
InChIKey ICFPYJXSWSUROH-UHFFFAOYSA-N
Molecular Weight 429.370 g/mol
SMILES N(c1c(-c2c(cccc2SCCC)N(=O)=O)c(ccc1)N(=O)=O)C(C(F)(F)F)=O
SPLASH splash10-0002-0090000000-0a4f59936e61727a9a6e
Source of Spectrum J-65-6396-8
Synonyms 2,2,2-trifluoro-N-[3-nitro-2-[2-nitro-6-(propylthio)phenyl]phenyl]acetamide 2,2,2-tris(fluoranyl)-N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]ethanamide
Wiley ID 1533251