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1,1-DiMethyl-3-(4-nitro-2-(2,2,2-trifluoroethyl)phenyl)urea
SpectraBase Compound ID BrXdxDyIfGx
InChI InChI=1S/C11H12F3N3O3/c1-16(2)10(18)15-9-4-3-8(17(19)20)5-7(9)6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,18)
InChIKey XPOVHPPDNLXTNZ-UHFFFAOYSA-N
Mol Weight 291.23 g/mol
Molecular Formula C11H12F3N3O3
Exact Mass 291.083076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8v6f3cpGkbN
Name 1,1-DiMethyl-3-(4-nitro-2-(2,2,2-trifluoroethyl)phenyl)urea
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12F3N3O3
InChI InChI=1S/C11H12F3N3O3/c1-16(2)10(18)15-9-4-3-8(17(19)20)5-7(9)6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,18)
InChIKey XPOVHPPDNLXTNZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201601136
Molecular Weight 291.230 g/mol
SMILES N(c1c(cc([N+](=O)[O-])cc1)CC(F)(F)F)C(=O)N(C)C
SPLASH splash10-014m-7940000000-8852d3f16b2afb7b67b2
Source of Spectrum ASC-359-527/SM34-3ab
Wiley ID 1807772