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(E)-Methyl 2-(3-benzoyl-5-chloro-2-(3,3-diisopropyltriaz-1-en-1-yl)phenyl)-2,3,3,3-tetrafluoropropanoate
SpectraBase Compound ID EeErURFBBu
InChI InChI=1S/C23H24ClF4N3O3/c1-13(2)31(14(3)4)30-29-19-17(20(32)15-9-7-6-8-10-15)11-16(24)12-18(19)22(25,21(33)34-5)23(26,27)28/h6-14H,1-5H3/b30-29+
InChIKey PMQFDIKLPIMDBT-QVIHXGFCSA-N
Mol Weight 501.91 g/mol
Molecular Formula C23H24ClF4N3O3
Exact Mass 501.144232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZIs4LnRFYO
Name (E)-Methyl 2-(3-benzoyl-5-chloro-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 C23H24ClF4N3O3
InChI InChI=1S/C23H24ClF4N3O3/c1-13(2)31(14(3)4)30-29-19-17(20(32)15-9-7-6-8-10-15)11-16(24)12-18(19)22(25,21(33)34-5)23(26,27)28/h6-14H,1-5H3/b30-29+
InChIKey PMQFDIKLPIMDBT-QVIHXGFCSA-N
Literature Reference DOI 10.1021/ol401558z
Molecular Weight 501.910 g/mol
SMILES C(c1cc(Cl)cc(C(=O)c2ccccc2)c1\N=N\N(C(C)C)C(C)C)(C(OC)=O)(C(F)(F)F)F
SPLASH splash10-0udi-0900000000-05bc9da654ea999f416b
Source of Spectrum A1-15-3468/SMS6-2o
Wiley ID 1748900