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4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide
SpectraBase Compound ID 7nX3Z6bLmJ
InChI InChI=1S/C19H16F6N4O3/c20-18(21,22)12-2-1-3-14(10-12)26-17(30)28-8-6-27(7-9-28)15-5-4-13(19(23,24)25)11-16(15)29(31)32/h1-5,10-11H,6-9H2,(H,26,30)
InChIKey VSTDZLWVOCFKPA-UHFFFAOYSA-N
Mol Weight 462.35 g/mol
Molecular Formula C19H16F6N4O3
Exact Mass 462.112659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmmdIfSX7RG
Name 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide
Alternate Name(s) 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F6N4O3
InChI InChI=1S/C19H16F6N4O3/c20-18(21,22)12-2-1-3-14(10-12)26-17(30)28-8-6-27(7-9-28)15-5-4-13(19(23,24)25)11-16(15)29(31)32/h1-5,10-11H,6-9H2,(H,26,30)
InChIKey VSTDZLWVOCFKPA-UHFFFAOYSA-N
Molecular Weight 462.352 g/mol
SMILES N(C(N1CCN(c2c(N(=O)=O)cc(C(F)(F)F)cc2)CC1)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-0kmv-9860000000-50b7ecba94e2b399bfe3
Wiley ID 1465049