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5-Trifluoromethyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 5fFY9IHvmbY
InChI InChI=1S/C12H9F3N4O4/c1-2-23-11(20)9-10(12(13,14)15)18(17-16-9)7-3-5-8(6-4-7)19(21)22/h3-6H,2H2,1H3
InChIKey IGCRHGROCBHDCE-UHFFFAOYSA-N
Mol Weight 330.22 g/mol
Molecular Formula C12H9F3N4O4
Exact Mass 330.057589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Le2CgDOA3ZS
Name 5-Trifluoromethyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3N4O4
InChI InChI=1S/C12H9F3N4O4/c1-2-23-11(20)9-10(12(13,14)15)18(17-16-9)7-3-5-8(6-4-7)19(21)22/h3-6H,2H2,1H3
InChIKey IGCRHGROCBHDCE-UHFFFAOYSA-N
Molecular Weight 330.223 g/mol
SMILES c1(c(nn[n]1-c1ccc(N(=O)=O)cc1)C(=O)OCC)C(F)(F)F
SPLASH splash10-001i-2191000000-89e6fbedd35ecc893b11
Source of Spectrum F-59-4400-3cc
Wiley ID 1678221