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(E)-1-(4-Iodo-2,6-bis(ethoxycarbonyldifluoromethyl)phenyl)-3,3-diisopropyltriaz-1-ene
SpectraBase Compound ID KytCtSaNfK7
InChI InChI=1S/C20H26F4IN3O4/c1-7-31-17(29)19(21,22)14-9-13(25)10-15(20(23,24)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 KFHRZUDZIBYQLK-CYYJNZCTSA-N
Mol Weight 575.34 g/mol
Molecular Formula C20H26F4IN3O4
Exact Mass 575.090414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QlrrNBKEca
Name (E)-1-(4-Iodo-2,6-bis(ethoxycarbonyldifluoromethyl)phenyl)-3,3-diisopropyltriaz-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26F4IN3O4
InChI InChI=1S/C20H26F4IN3O4/c1-7-31-17(29)19(21,22)14-9-13(25)10-15(20(23,24)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 KFHRZUDZIBYQLK-CYYJNZCTSA-N
Literature Reference DOI 10.1021/jo401145g
Molecular Weight 575.343 g/mol
SMILES C(F)(F)(c1c(c(cc(I)c1)C(F)(C(OCC)=O)F)\N=N\N(C(C)C)C(C)C)C(OCC)=O
SPLASH splash10-0udi-0900030000-323f9791d547827bb5aa
Source of Spectrum J-78-7945-7a
Synonyms (E)-diethyl 2,2'-(2-(3,3-diisopropyltriaz-1-en-1-yl)-5-iodo-1,3-phenylene)bis(2,2-difluoroacetate)
Wiley ID 1745708