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(E)-Methyl 2-(3-phenyl-4-(3,3-diisopropyltriaz-1-en-1-yl)phenyl)-2,3,3,3-tetrafluoropropanoate
SpectraBase Compound ID BplQ9vZcohr
InChI InChI=1S/C22H25F4N3O2/c1-14(2)29(15(3)4)28-27-19-12-11-17(13-18(19)16-9-7-6-8-10-16)21(23,20(30)31-5)22(24,25)26/h6-15H,1-5H3/b28-27+
InChIKey LHHOLLQQCVXVBE-BYYHNAKLSA-N
Mol Weight 439.45 g/mol
Molecular Formula C22H25F4N3O2
Exact Mass 439.18829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J62wS7MFL3q
Name (E)-Methyl 2-(3-phenyl-4-(3,3-diisopropyltriaz-1-en-1-yl)phenyl)-2,3,3,3-tetrafluoropropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25F4N3O2
InChI InChI=1S/C22H25F4N3O2/c1-14(2)29(15(3)4)28-27-19-12-11-17(13-18(19)16-9-7-6-8-10-16)21(23,20(30)31-5)22(24,25)26/h6-15H,1-5H3/b28-27+
InChIKey LHHOLLQQCVXVBE-BYYHNAKLSA-N
Literature Reference DOI 10.1021/ol401558z
Molecular Weight 439.455 g/mol
SMILES C(C(F)(F)F)(c1cc(c(cc1)\N=N\N(C(C)C)C(C)C)-c1ccccc1)(C(=O)OC)F
SPLASH splash10-0w2i-0908700000-f164c153774c59e12f94
Source of Spectrum A1-15-3468/SMS4-2g
Synonyms (E)-methyl 2-(6-(3,3-diisopropyltriaz-1-en-1-yl)-[1,1'-biphenyl]-3-yl)-2,3,3,3-tetrafluoropropanoate
Wiley ID 1748896