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3-(trifluoromethyl)-4-(4-nitrobenzimido)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole
SpectraBase Compound ID 8uwrVIuQfsf
InChI InChI=1S/C17H9F6N5O3/c18-16(19,20)11-2-1-3-13(8-11)31-15-26-25-14(17(21,22)23)27(15)24-9-10-4-6-12(7-5-10)28(29)30/h1-9H/b24-9+
InChIKey WZFXYNZMUMZZJU-PGGKNCGUSA-N
Mol Weight 445.28 g/mol
Molecular Formula C17H9F6N5O3
Exact Mass 445.060958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XZ3wDlI2DS
Name 3-(trifluoromethyl)-4-(4-nitrobenzimido)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9F6N5O3
InChI InChI=1S/C17H9F6N5O3/c18-16(19,20)11-2-1-3-13(8-11)31-15-26-25-14(17(21,22)23)27(15)24-9-10-4-6-12(7-5-10)28(29)30/h1-9H/b24-9+
InChIKey WZFXYNZMUMZZJU-PGGKNCGUSA-N
Molecular Weight 445.281 g/mol
SMILES c1([n](c(nn1)Oc1cc(C(F)(F)F)ccc1)\N=C\c1ccc(N(=O)=O)cc1)C(F)(F)F
SPLASH splash10-0f6t-2910000000-652e6daa8132f4dd14ff
Source of Spectrum Y-51-E346-4c
Synonyms 3-(trifluoromethyl)-4-(4-nitrophenylimino)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole (E)-N-(4-nitrobenzylidene)-3-(trifluoromethyl)-5-(3-(trifluoromethyl)phenoxy)-4H-1,2,4-triazol-4-amine
Wiley ID 1741539