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(E)-1-(4-Ethoxycarbonyl-2-(heptafluoropropyl)phenyl)-3,3-diisopropyltriaz-1-ene
SpectraBase Compound ID DkZPFRsn7du
InChI InChI=1S/C18H22F7N3O2/c1-6-30-15(29)12-7-8-14(26-27-28(10(2)3)11(4)5)13(9-12)16(19,20)17(21,22)18(23,24)25/h7-11H,6H2,1-5H3/b27-26+
InChIKey HUEZGJSQUAALDK-CYYJNZCTSA-N
Mol Weight 445.38 g/mol
Molecular Formula C18H22F7N3O2
Exact Mass 445.160024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNPpUOuNPQl
Name (E)-1-(4-Ethoxycarbonyl-2-(heptafluoropropyl)phenyl)-3,3-diisopropyltriaz-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22F7N3O2
InChI InChI=1S/C18H22F7N3O2/c1-6-30-15(29)12-7-8-14(26-27-28(10(2)3)11(4)5)13(9-12)16(19,20)17(21,22)18(23,24)25/h7-11H,6H2,1-5H3/b27-26+
InChIKey HUEZGJSQUAALDK-CYYJNZCTSA-N
Literature Reference DOI 10.1021/jo401145g
Molecular Weight 445.382 g/mol
SMILES C(F)(F)(C(F)(c1cc(C(=O)OCC)ccc1\N=N\N(C(C)C)C(C)C)F)C(F)(F)F
SPLASH splash10-0udi-0902300000-714fde2af97229813f73
Source of Spectrum J-78-7944-4e
Synonyms (E)-ethyl 4-(3,3-diisopropyltriaz-1-en-1-yl)-3-(perfluoropropyl)benzoate
Wiley ID 1745700