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5-Tifluoromethyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID B51cnqHMUpx
InChI InChI=1S/C13H12F3N3O3/c1-3-22-12(20)10-11(13(14,15)16)19(18-17-10)8-4-6-9(21-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey CCKDBYSYZMKKFT-UHFFFAOYSA-N
Mol Weight 315.25 g/mol
Molecular Formula C13H12F3N3O3
Exact Mass 315.083076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXCcXPdryR
Name 5-Tifluoromethyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3N3O3
InChI InChI=1S/C13H12F3N3O3/c1-3-22-12(20)10-11(13(14,15)16)19(18-17-10)8-4-6-9(21-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey CCKDBYSYZMKKFT-UHFFFAOYSA-N
Molecular Weight 315.252 g/mol
SMILES c1(c(nn[n]1-c1ccc(cc1)OC)C(=O)OCC)C(F)(F)F
SPLASH splash10-014i-1092000000-ef13df46808b5911b6e1
Source of Spectrum F-59-4400-3cb
Wiley ID 1712255