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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 CPOzs0Dqdg5
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 c1c(C(F)(F)F)cc(N(=O)=O)cc1N(=O)=O
SPLASH splash10-002f-9710000000-ba7a2e9c9724da63c269
Source of Spectrum AD-0-2532-0
Wiley ID 1429249