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1-Benzyl-5-(4-fluorophenyl)triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 5IGHb6a45xR
InChI InChI=1S/C18H16FN3O2/c1-2-24-18(23)16-17(14-8-10-15(19)11-9-14)22(21-20-16)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey HBKWBBZKUGWQCP-UHFFFAOYSA-N
Mol Weight 325.34 g/mol
Molecular Formula C18H16FN3O2
Exact Mass 325.122655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F86LJxGzg2l
Name 1-Benzyl-5-(4-fluorophenyl)triazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16FN3O2
InChI InChI=1S/C18H16FN3O2/c1-2-24-18(23)16-17(14-8-10-15(19)11-9-14)22(21-20-16)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey HBKWBBZKUGWQCP-UHFFFAOYSA-N
Molecular Weight 325.343 g/mol
SMILES c1(c([n](Cc2ccccc2)nn1)-c1ccc(cc1)F)C(=O)OCC
SPLASH splash10-00kf-8090000000-f4088bb644e060cd19bd
Source of Spectrum AJ-43-677-4
Synonyms 5-(4-fluorophenyl)-1-(phenylmethyl)-4-triazolecarboxylic acid ethyl ester Ethyl 1-benzyl-5-(4-fluorophenyl)triazole-4-carboxylate Ethyl 5-(4-fluorophenyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxylate
Wiley ID 1594090