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5-(1,1-Difluoro-2-hydroxy-2-(4-chlorophenyl)ethyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 7K5u6gDY35U
InChI InChI=1S/C19H16ClF2N3O3/c1-2-28-18(27)15-16(25(24-23-15)14-6-4-3-5-7-14)19(21,22)17(26)12-8-10-13(20)11-9-12/h3-11,17,26H,2H2,1H3
InChIKey NMNDCTWHXLIEHK-UHFFFAOYSA-N
Mol Weight 407.8 g/mol
Molecular Formula C19H16ClF2N3O3
Exact Mass 407.084825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pCjfYIm9nR
Name 5-(1,1-Difluoro-2-hydroxy-2-(4-chlorophenyl)ethyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClF2N3O3
InChI InChI=1S/C19H16ClF2N3O3/c1-2-28-18(27)15-16(25(24-23-15)14-6-4-3-5-7-14)19(21,22)17(26)12-8-10-13(20)11-9-12/h3-11,17,26H,2H2,1H3
InChIKey NMNDCTWHXLIEHK-UHFFFAOYSA-N
Molecular Weight 407.805 g/mol
SMILES OC(C(c1c(nn[n]1-c1ccccc1)C(=O)OCC)(F)F)c1ccc(cc1)Cl
SPLASH splash10-016r-6913000000-d96748e37f5052e2665d
Source of Spectrum F-59-4402-8b
Wiley ID 1678210