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(E)-1-(4-Cyano-2-(ethoxycarbonyldifluoromethyl)phenyl)-3,3-diisopropyltriaz-1-ene
SpectraBase Compound ID LfIUcDTPZbJ
InChI InChI=1S/C17H22F2N4O2/c1-6-25-16(24)17(18,19)14-9-13(10-20)7-8-15(14)21-22-23(11(2)3)12(4)5/h7-9,11-12H,6H2,1-5H3/b22-21+
InChIKey QQRDTCPJIQVHIN-QURGRASLSA-N
Mol Weight 352.39 g/mol
Molecular Formula C17H22F2N4O2
Exact Mass 352.171082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LAmytpUB1K
Name (E)-1-(4-Cyano-2-(ethoxycarbonyldifluoromethyl)phenyl)-3,3-diisopropyltriaz-1-ene
Alternate Name(s) (E)-ethyl 2-(5-cyano-2-(3,3-diisopropyltriaz-1-en-1-yl)phenyl)-2,2-difluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22F2N4O2
InChI InChI=1S/C17H22F2N4O2/c1-6-25-16(24)17(18,19)14-9-13(10-20)7-8-15(14)21-22-23(11(2)3)12(4)5/h7-9,11-12H,6H2,1-5H3/b22-21+
InChIKey QQRDTCPJIQVHIN-QURGRASLSA-N
Literature Reference DOI 10.1021/jo401145g
Molecular Weight 352.386 g/mol
SMILES C(C(F)(c1cc(ccc1\N=N\N(C(C)C)C(C)C)C#N)F)(OCC)=O
SPLASH splash10-0udi-0928000000-b7159ede3f0c06a90f4f
Source of Spectrum J-78-7946-6f
Wiley ID 1745707