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1-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-3-(5-NITRO-3-THENOYL)UREA
SpectraBase Compound ID 8gXKqQ0jO4o
InChI InChI=1S/C14H7F6N3O4S/c15-13(16,17)7-2-8(14(18,19)20)4-9(3-7)21-12(25)22-11(24)6-1-10(23(26)27)28-5-6/h1-5H,(H2,21,22,24,25)
InChIKey AZGCRJFQGAJYRC-UHFFFAOYSA-N
Mol Weight 427.28 g/mol
Molecular Formula C14H7F6N3O4S
Exact Mass 427.006146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLETZXuDd5f
Name N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(5-nitro-3-thienyl)carbonyl]urea
Alternate Name(s) N-[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-5-nitro-3-thiophenecarboxamide N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-5-nitro-thiophene-3-carboxamide
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Formula C14H7F6N3O4S
InChI InChI=1S/C14H7F6N3O4S/c15-13(16,17)7-2-8(14(18,19)20)4-9(3-7)21-12(25)22-11(24)6-1-10(23(26)27)28-5-6/h1-5H,(H2,21,22,24,25)
InChIKey AZGCRJFQGAJYRC-UHFFFAOYSA-N
Molecular Weight 427.277 g/mol
SMILES N(C(c1cc(N(=O)=O)sc1)=O)C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O
SPLASH splash10-0a4i-4930100000-5be0d798bc4e49f1ec12
Wiley ID 1438846