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1-(p-fluorophenyl)-4-carbethoxy-5-(2,2-dimethyltetrahydropyran-4-yl)-triazole
SpectraBase Compound ID 2l7sX5rm6F0
InChI InChI=1S/C18H22FN3O3/c1-4-24-17(23)15-16(12-9-10-25-18(2,3)11-12)22(21-20-15)14-7-5-13(19)6-8-14/h5-8,12H,4,9-11H2,1-3H3
InChIKey JKAUZESHASYNPA-UHFFFAOYSA-N
Mol Weight 347.39 g/mol
Molecular Formula C18H22FN3O3
Exact Mass 347.16452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Epk7QHfYo0t
Name 1-(p-fluorophenyl)-4-carbethoxy-5-(2,2-dimethyltetrahydropyran-4-yl)-triazole
Alternate Name(s) Ethyl 5-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22FN3O3
InChI InChI=1S/C18H22FN3O3/c1-4-24-17(23)15-16(12-9-10-25-18(2,3)11-12)22(21-20-15)14-7-5-13(19)6-8-14/h5-8,12H,4,9-11H2,1-3H3
InChIKey JKAUZESHASYNPA-UHFFFAOYSA-N
Molecular Weight 347.390 g/mol
SMILES c1(c([n](-c2ccc(cc2)F)nn1)C1CC(C)(C)OCC1)C(=O)OCC
SPLASH splash10-03dr-0924000000-8ddbca33f61282207cb2
Source of Spectrum HC-18-759-0
Wiley ID 1340006