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3-(trifluoromethyl)-4-(4-methylbenzimido)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole
SpectraBase Compound ID CIIZJhsW4d6
InChI InChI=1S/C18H12F6N4O/c1-11-5-7-12(8-6-11)10-25-28-15(18(22,23)24)26-27-16(28)29-14-4-2-3-13(9-14)17(19,20)21/h2-10H,1H3/b25-10+
InChIKey IGGRDFLJNWDNPU-KIBLKLHPSA-N
Mol Weight 414.31 g/mol
Molecular Formula C18H12F6N4O
Exact Mass 414.09153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbJwqqxQkTC
Name 3-(trifluoromethyl)-4-(4-methylbenzimido)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12F6N4O
InChI InChI=1S/C18H12F6N4O/c1-11-5-7-12(8-6-11)10-25-28-15(18(22,23)24)26-27-16(28)29-14-4-2-3-13(9-14)17(19,20)21/h2-10H,1H3/b25-10+
InChIKey IGGRDFLJNWDNPU-KIBLKLHPSA-N
Molecular Weight 414.311 g/mol
SMILES c1([n](c(nn1)Oc1cc(C(F)(F)F)ccc1)\N=C\c1ccc(cc1)C)C(F)(F)F
SPLASH splash10-014l-4900000000-3ba245c5a7978ba5a8a9
Source of Spectrum Y-51-E346-4e
Synonyms 3-(trifluoromethyl)-4-(4-methylphenylimino)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole (E)-N-(4-methylbenzylidene)-3-(trifluoromethyl)-5-(3-(trifluoromethyl)phenoxy)-4H-1,2,4-triazol-4-amine
Wiley ID 1741538