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(E)-1-(4-Chloro-2,6-bis(ethoxycarbonyldifluoromethyl)phenyl)-3,3-diisopropyltriaz-1-ene
SpectraBase Compound ID IMTWzuCxl6C
InChI InChI=1S/C20H26ClF4N3O4/c1-7-31-17(29)19(22,23)14-9-13(21)10-15(20(24,25)18(30)32-8-2)16(14)26-27-28(11(3)4)12(5)6/h9-12H,7-8H2,1-6H3/b27-26+
InChIKey XXHWCZHHAIHIHG-CYYJNZCTSA-N
Mol Weight 483.89 g/mol
Molecular Formula C20H26ClF4N3O4
Exact Mass 483.154797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5h2hOCBmG04
Name (E)-1-(4-Chloro-2,6-bis(ethoxycarbonyldifluoromethyl)phenyl)-3,3-diisopropyltriaz-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26ClF4N3O4
InChI InChI=1S/C20H26ClF4N3O4/c1-7-31-17(29)19(22,23)14-9-13(21)10-15(20(24,25)18(30)32-8-2)16(14)26-27-28(11(3)4)12(5)6/h9-12H,7-8H2,1-6H3/b27-26+
InChIKey XXHWCZHHAIHIHG-CYYJNZCTSA-N
Literature Reference DOI 10.1021/jo401145g
Molecular Weight 483.892 g/mol
SMILES C(F)(F)(c1c(c(cc(Cl)c1)C(F)(C(OCC)=O)F)\N=N\N(C(C)C)C(C)C)C(OCC)=O
SPLASH splash10-0006-9000000000-4c5ae943ec24a6d57196
Source of Spectrum J-78-7945-7c
Synonyms (E)-diethyl 2,2'-(5-chloro-2-(3,3-diisopropyltriaz-1-en-1-yl)-1,3-phenylene)bis(2,2-difluoroacetate)
Wiley ID 1745709