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2-Propenoic acid, 3-(4-chlorophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
SpectraBase Compound ID LxtddeJn5M5
InChI InChI=1S/C21H17ClO4/c22-19-12-9-17(10-13-19)11-14-20(23)25-15-5-2-6-16-26-21(24)18-7-3-1-4-8-18/h1-14,16H,15H2/b5-2+,14-11+,16-6+
InChIKey BGRJKXMLOCXLJV-RMDPBZERSA-N
Mol Weight 368.82 g/mol
Molecular Formula C21H17ClO4
Exact Mass 368.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBPBxqsQG2R
Name 2-Propenoic acid, 3-(4-chlorophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
Alternate Name(s) (1E,3E)-5-{[(2E)-3-(4-chlorophenyl)-2-propenoyl]oxy}-1,3-pentadienyl benzoate 1-(benzoyloxy)-5-[(p-chloro-(E)-cinnamoyl)oxy]-1(E),3(E)-pentadiene
CAS Registry Number 114133-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClO4
InChI InChI=1S/C21H17ClO4/c22-19-12-9-17(10-13-19)11-14-20(23)25-15-5-2-6-16-26-21(24)18-7-3-1-4-8-18/h1-14,16H,15H2/b5-2+,14-11+,16-6+
InChIKey BGRJKXMLOCXLJV-RMDPBZERSA-N
Molecular Weight 368.816 g/mol
SMILES C(=O)(c1ccccc1)O\C=C\C=C\COC(\C=C\c1ccc(cc1)Cl)=O
SPLASH splash10-0a4i-0900000000-5deaeb4b7c94ed80921d
Source of Spectrum J-53-1869-18
Wiley ID 1353037