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Ethyl 1-(2-(3,5-bis(trifluoromethyl)phenylselanyl)phenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID JHEnvGoBoaa
InChI InChI=1S/C20H15F6N3O2Se/c1-3-31-18(30)17-11(2)29(28-27-17)15-6-4-5-7-16(15)32-14-9-12(19(21,22)23)8-13(10-14)20(24,25)26/h4-10H,3H2,1-2H3
InChIKey SERXDXBXNPWBPA-UHFFFAOYSA-N
Mol Weight 522.32 g/mol
Molecular Formula C20H15F6N3O2Se
Exact Mass 523.023368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5GtvC9hPwQ
Name Ethyl 1-(2-(3,5-bis(trifluoromethyl)phenylselanyl)phenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Alternate Name(s) Ethyl 1-(2-((3,5-bis(trifluoromethyl)phenyl)selanyl)phenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15F6N3O2Se
InChI InChI=1S/C20H15F6N3O2Se/c1-3-31-18(30)17-11(2)29(28-27-17)15-6-4-5-7-16(15)32-14-9-12(19(21,22)23)8-13(10-14)20(24,25)26/h4-10H,3H2,1-2H3
InChIKey SERXDXBXNPWBPA-UHFFFAOYSA-N
Molecular Weight 522.321 g/mol
SMILES c1(nn[n](c1C)-c1c([Se]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1)C(=O)OCC
SPLASH splash10-001i-1090000000-9e436f5e56045670a1e0
Source of Spectrum F-68-10461-3o
Wiley ID 1737255