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3-[(2E)-3-(4-acetoxy-3-methoxyphenyl)prop-2-enoyl]-1,3-bis[(4-chloro-3trifluoromethyl)phenyl]triazene
SpectraBase Compound ID Dxw3TseCpFy
InChI InChI=1S/C26H17Cl2F6N3O4/c1-14(38)41-22-9-3-15(11-23(22)40-2)4-10-24(39)37(17-6-8-21(28)19(13-17)26(32,33)34)36-35-16-5-7-20(27)18(12-16)25(29,30)31/h3-13H,1-2H3/b10-4+,36-35+
InChIKey XBNVYPUQWSYEPS-IIEJRAKUSA-N
Mol Weight 620.34 g/mol
Molecular Formula C26H17Cl2F6N3O4
Exact Mass 619.05003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GaLEAnIvym
Name 3-[(2E)-3-(4-acetoxy-3-methoxyphenyl)prop-2-enoyl]-1,3-bis[(4-chloro-3trifluoromethyl)phenyl]triazene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17Cl2F6N3O4
InChI InChI=1S/C26H17Cl2F6N3O4/c1-14(38)41-22-9-3-15(11-23(22)40-2)4-10-24(39)37(17-6-8-21(28)19(13-17)26(32,33)34)36-35-16-5-7-20(27)18(12-16)25(29,30)31/h3-13H,1-2H3/b10-4+,36-35+
InChIKey XBNVYPUQWSYEPS-IIEJRAKUSA-N
Molecular Weight 620.335 g/mol
SMILES c1(C(F)(F)F)cc(N(\N=N\c2cc(C(F)(F)F)c(cc2)Cl)C(\C=C\c2cc(OC)c(cc2)OC(=O)C)=O)ccc1Cl
SPLASH splash10-004i-0940000000-506c82fdee10b960e768
Source of Spectrum F2-46-2977-3b
Wiley ID 1689606