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(E)-Methyl 2-(5-cyano-2-(3,3-diisopropyltriaz-1-en-1-yl)phenyl)-2,3,3,3-tetrafluoropropanoate
SpectraBase Compound ID GX0FMQp5VbL
InChI InChI=1S/C17H20F4N4O2/c1-10(2)25(11(3)4)24-23-14-7-6-12(9-22)8-13(14)16(18,15(26)27-5)17(19,20)21/h6-8,10-11H,1-5H3/b24-23+
InChIKey NTHUFGFVFFMRTQ-WCWDXBQESA-N
Mol Weight 388.37 g/mol
Molecular Formula C17H20F4N4O2
Exact Mass 388.152239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hJFfCdcEMx
Name (E)-Methyl 2-(5-cyano-2-(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 C17H20F4N4O2
InChI InChI=1S/C17H20F4N4O2/c1-10(2)25(11(3)4)24-23-14-7-6-12(9-22)8-13(14)16(18,15(26)27-5)17(19,20)21/h6-8,10-11H,1-5H3/b24-23+
InChIKey NTHUFGFVFFMRTQ-WCWDXBQESA-N
Literature Reference DOI 10.1021/ol401558z
Molecular Weight 388.367 g/mol
SMILES C(C(F)(F)F)(c1cc(ccc1\N=N\N(C(C)C)C(C)C)C#N)(F)C(OC)=O
SPLASH splash10-0udi-0943000000-1229da843583b35d71e1
Source of Spectrum A1-15-3468/SMS3-2e
Wiley ID 1748894