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2-Propenoic acid, 3-(2,4-dichlorophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
SpectraBase Compound ID 3zKGWyTHd8q
InChI InChI=1S/C21H16Cl2O4/c22-18-11-9-16(19(23)15-18)10-12-20(24)26-13-5-2-6-14-27-21(25)17-7-3-1-4-8-17/h1-12,14-15H,13H2/b5-2+,12-10+,14-6+
InChIKey DTQXIBSRHAXGLZ-DPPLYCNPSA-N
Mol Weight 403.26 g/mol
Molecular Formula C21H16Cl2O4
Exact Mass 402.042564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZRkdRdVEZZ
Name 2-Propenoic acid, 3-(2,4-dichlorophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
Alternate Name(s) (1E,3E)-5-{[(2E)-3-(2,4-dichlorophenyl)-2-propenoyl]oxy}-1,3-pentadienyl benzoate 1-(benzoyloxy)-5-[((E)-2,4-dichlorocinnamoyl)oxy]-1(E),3(E)-pentadiene
CAS Registry Number 114133-05-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16Cl2O4
InChI InChI=1S/C21H16Cl2O4/c22-18-11-9-16(19(23)15-18)10-12-20(24)26-13-5-2-6-14-27-21(25)17-7-3-1-4-8-17/h1-12,14-15H,13H2/b5-2+,12-10+,14-6+
InChIKey DTQXIBSRHAXGLZ-DPPLYCNPSA-N
Molecular Weight 403.261 g/mol
SMILES C(=O)(c1ccccc1)O\C=C\C=C\COC(\C=C\c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-0a4i-0900000000-18e8d9c30e154adf0f72
Source of Spectrum J-53-1869-20
Wiley ID 1370274