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(E)-Methyl 2-(2-(3,3-diisopropyltriaz-1-en-1-yl)-5-ethoxycarbonylphenyl)-2,3,3,3-tetrafluoropropanoate
SpectraBase Compound ID 1kVKHAU37Qj
InChI InChI=1S/C19H25F4N3O4/c1-7-30-16(27)13-8-9-15(24-25-26(11(2)3)12(4)5)14(10-13)18(20,17(28)29-6)19(21,22)23/h8-12H,7H2,1-6H3/b25-24+
InChIKey HBJNLIPYCJYICP-OCOZRVBESA-N
Mol Weight 435.42 g/mol
Molecular Formula C19H25F4N3O4
Exact Mass 435.178119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 441mdaQ4xER
Name (E)-Methyl 2-(2-(3,3-diisopropyltriaz-1-en-1-yl)-5-ethoxycarbonylphenyl)-2,3,3,3-tetrafluoropropanoate
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Formula C19H25F4N3O4
InChI InChI=1S/C19H25F4N3O4/c1-7-30-16(27)13-8-9-15(24-25-26(11(2)3)12(4)5)14(10-13)18(20,17(28)29-6)19(21,22)23/h8-12H,7H2,1-6H3/b25-24+
InChIKey HBJNLIPYCJYICP-OCOZRVBESA-N
Literature Reference DOI 10.1021/ol401558z
Molecular Weight 435.420 g/mol
SMILES C(c1c(\N=N\N(C(C)C)C(C)C)ccc(c1)C(=O)OCC)(F)(C(OC)=O)C(F)(F)F
SPLASH splash10-0a4i-9000000000-8bf8f7df5367726f0819
Source of Spectrum A1-15-3468/SMS3-2f
Synonyms (E)-ethyl 4-(3,3-diisopropyltriaz-1-en-1-yl)-3-(1,1,1,2-tetrafluoro-3-methoxy-3-oxopropan-2-yl)benzoate
Wiley ID 1748895