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Ethyl 4-(4-cyclohexyl-1-(4-fluorophenyl)-1H-1,2,3-triazol-5-yl)benzoate
SpectraBase Compound ID EAgOalNthcN
InChI InChI=1S/C23H24FN3O2/c1-2-29-23(28)18-10-8-17(9-11-18)22-21(16-6-4-3-5-7-16)25-26-27(22)20-14-12-19(24)13-15-20/h8-16H,2-7H2,1H3
InChIKey OGVMHEDQCWXZAW-UHFFFAOYSA-N
Mol Weight 393.46 g/mol
Molecular Formula C23H24FN3O2
Exact Mass 393.185255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdnG5u889Ou
Name Ethyl 4-(4-cyclohexyl-1-(4-fluorophenyl)-1H-1,2,3-triazol-5-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.185255186 u
Formula C23H24FN3O2
InChI InChI=1S/C23H24FN3O2/c1-2-29-23(28)18-10-8-17(9-11-18)22-21(16-6-4-3-5-7-16)25-26-27(22)20-14-12-19(24)13-15-20/h8-16H,2-7H2,1H3
InChIKey OGVMHEDQCWXZAW-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890 or 5890 Series II
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704400
Molecular Weight 393.462 g/mol
Quality 60
SMILES C(C)OC(C1=CC=C(C=C1)C1=C(N=NN1C1=CC=C(C=C1)F)C1CCCCC1)=O
SPLASH splash10-0075-0195000000-faaf67ec7248f7eb7419
Source of Spectrum ACI-56-SM19-16d (DOI: 10.1002/anie.201704400)
Wiley ID 1896180