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5-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 5WwomceRRgu
InChI InChI=1S/C14H10ClF6N3O2/c1-2-26-11(25)9-10(12(16,17)13(18,19)14(15,20)21)24(23-22-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey MQTFAFTWWYMKJZ-UHFFFAOYSA-N
Mol Weight 401.7 g/mol
Molecular Formula C14H10ClF6N3O2
Exact Mass 401.036573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qIY6umsXNn
Name 5-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10ClF6N3O2
InChI InChI=1S/C14H10ClF6N3O2/c1-2-26-11(25)9-10(12(16,17)13(18,19)14(15,20)21)24(23-22-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey MQTFAFTWWYMKJZ-UHFFFAOYSA-N
Molecular Weight 401.696 g/mol
SMILES c1(C(C(C(F)(F)Cl)(F)F)(F)F)c(nn[n]1-c1ccccc1)C(=O)OCC
SPLASH splash10-00or-8900000000-5a8d1a90093097d5aa49
Source of Spectrum F-59-4400-3da
Wiley ID 1678220