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3-[(2E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]-1,3-bis[4-chloro-3(trifluoromethyl)phenyl]triazene
SpectraBase Compound ID Cbcc3QXJGh4
InChI InChI=1S/C27H17Cl2F6N3O5/c1-14(39)42-23-9-3-16(11-24(23)43-15(2)40)4-10-25(41)38(18-6-8-22(29)20(13-18)27(33,34)35)37-36-17-5-7-21(28)19(12-17)26(30,31)32/h3-13H,1-2H3/b10-4+,37-36+
InChIKey BCMGAMLNVAXETN-JGWDBCNNSA-N
Mol Weight 648.35 g/mol
Molecular Formula C27H17Cl2F6N3O5
Exact Mass 647.044945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTJxuz0DTeZ
Name 3-[(2E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]-1,3-bis[4-chloro-3(trifluoromethyl)phenyl]triazene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17Cl2F6N3O5
InChI InChI=1S/C27H17Cl2F6N3O5/c1-14(39)42-23-9-3-16(11-24(23)43-15(2)40)4-10-25(41)38(18-6-8-22(29)20(13-18)27(33,34)35)37-36-17-5-7-21(28)19(12-17)26(30,31)32/h3-13H,1-2H3/b10-4+,37-36+
InChIKey BCMGAMLNVAXETN-JGWDBCNNSA-N
Molecular Weight 648.345 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(=O)C)c(cc2)OC(=O)C)=O)ccc1Cl
SPLASH splash10-08fr-0960000000-1fee399e290a1aa67e27
Source of Spectrum F2-46-2977-4b
Wiley ID 1689605