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3-[(2E)-3-(2,4-Dimethoxyphenyl)prop-2-enoyl]-1,3-bis[(2-chloro-5-trifluoromethyl)phenyl]triazene
SpectraBase Compound ID 4hU7XkaaebJ
InChI InChI=1S/C25H17Cl2F6N3O3/c1-38-17-7-3-14(22(13-17)39-2)4-10-23(37)36(21-12-16(25(31,32)33)6-9-19(21)27)35-34-20-11-15(24(28,29)30)5-8-18(20)26/h3-13H,1-2H3/b10-4+,35-34+
InChIKey PFCQJOVPEGKEHD-VZKVSVTQSA-N
Mol Weight 592.33 g/mol
Molecular Formula C25H17Cl2F6N3O3
Exact Mass 591.055116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBdsVYDqvg4
Name 3-[(2E)-3-(2,4-Dimethoxyphenyl)prop-2-enoyl]-1,3-bis[(2-chloro-5-trifluoromethyl)phenyl]triazene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17Cl2F6N3O3
InChI InChI=1S/C25H17Cl2F6N3O3/c1-38-17-7-3-14(22(13-17)39-2)4-10-23(37)36(21-12-16(25(31,32)33)6-9-19(21)27)35-34-20-11-15(24(28,29)30)5-8-18(20)26/h3-13H,1-2H3/b10-4+,35-34+
InChIKey PFCQJOVPEGKEHD-VZKVSVTQSA-N
Molecular Weight 592.325 g/mol
SMILES c1(\N=N\N(c2cc(C(F)(F)F)ccc2Cl)C(\C=C\c2c(cc(cc2)OC)OC)=O)cc(C(F)(F)F)ccc1Cl
SPLASH splash10-0006-0900000000-cf51aaa0e7444ea1917f
Source of Spectrum F2-46-2977-5a
Wiley ID 1689604