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3,5-Dinitrobenzotrifluoride
SpectraBase Compound ID KO4q0kXiK0t
InChI InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
InChIKey QZADIXWDDVQVKM-UHFFFAOYSA-N
Mol Weight 236.11 g/mol
Molecular Formula C7H3F3N2O4
Exact Mass 236.004491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4H3X5QH8FcN
Name 1,3-Dinitro-5-(trifluoromethyl)benzene
Alternate Name(s) 3,5-Dinitrobenzotrifluoride Benzene, 1,3-dinitro-5-(trifluoromethyl)- AI3-28908 EINECS 206-935-2
CAS Registry Number 401-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3F3N2O4
InChI InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
InChIKey QZADIXWDDVQVKM-UHFFFAOYSA-N
Molecular Weight 236.106 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(C(F)(F)F)c1
SPLASH splash10-000f-3950000000-c4bbf1cbad29a62b32f9
Source of Spectrum RB-1982-15218-0
Wiley ID 1237459