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3,3-Dimethyl-5-phenyl-5-(trifluoromethyl)-1,2,4-triazole-4-carboxylic acid methyl ester
SpectraBase Compound ID 9nTrQKoi4vD
InChI InChI=1S/C13H14F3N3O2/c1-11(2)17-18-12(13(14,15)16,19(11)10(20)21-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey QKGSOFWANNNBQH-UHFFFAOYSA-N
Mol Weight 301.27 g/mol
Molecular Formula C13H14F3N3O2
Exact Mass 301.103811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FwzjWmepL2
Name 3,3-Dimethyl-5-phenyl-5-(trifluoromethyl)-1,2,4-triazole-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14F3N3O2
InChI InChI=1S/C13H14F3N3O2/c1-11(2)17-18-12(13(14,15)16,19(11)10(20)21-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey QKGSOFWANNNBQH-UHFFFAOYSA-N
Molecular Weight 301.269 g/mol
SMILES C1(N(C(C)(C)N=N1)C(=O)OC)(C(F)(F)F)c1ccccc1
SPLASH splash10-03dl-2290000000-4c90e39e957b40f254fc
Source of Spectrum J-57-6019-12
Synonyms Methyl 3,3-dimethyl-5-phenyl-5-(trifluoromethyl)-1,2,4-triazole-4-carboxylate
Wiley ID 1303633