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5-(1,1-Difluoro-2-hydroxy-3-pentenyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 2WKZHtZcQaa
InChI InChI=1S/C16H17F2N3O3/c1-3-8-12(22)16(17,18)14-13(15(23)24-4-2)19-20-21(14)11-9-6-5-7-10-11/h3,5-10,12,22H,4H2,1-2H3/b8-3+
InChIKey OCFWGQXKPYSAFQ-FPYGCLRLSA-N
Mol Weight 337.33 g/mol
Molecular Formula C16H17F2N3O3
Exact Mass 337.123798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B5nkwBhx9n
Name 5-(1,1-Difluoro-2-hydroxy-3-pentenyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
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Formula C16H17F2N3O3
InChI InChI=1S/C16H17F2N3O3/c1-3-8-12(22)16(17,18)14-13(15(23)24-4-2)19-20-21(14)11-9-6-5-7-10-11/h3,5-10,12,22H,4H2,1-2H3/b8-3+
InChIKey OCFWGQXKPYSAFQ-FPYGCLRLSA-N
Molecular Weight 337.327 g/mol
SMILES OC(C(c1c(nn[n]1-c1ccccc1)C(=O)OCC)(F)F)\C=C\C
SPLASH splash10-00or-9411000000-22c33f86fda426568d33
Source of Spectrum F-59-4402-8d
Wiley ID 1678208