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2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
SpectraBase Compound ID AiQs0mk3gZy
InChI InChI=1S/C22H18O6/c23-21(12-10-17-9-11-19-20(15-17)28-16-27-19)25-13-5-2-6-14-26-22(24)18-7-3-1-4-8-18/h1-12,14-15H,13,16H2/b5-2+,12-10+,14-6+
InChIKey DYALEMVTIHNSPQ-DPPLYCNPSA-N
Mol Weight 378.38 g/mol
Molecular Formula C22H18O6
Exact Mass 378.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhxnuHwagA7
Name 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
Alternate Name(s) (1E,3E)-5-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}-1,3-pentadienyl benzoate 1-(benzoyloxy)-5-[((E)-piperonylacryloyl)oxy]-1(E),3(E)-pentadiene
CAS Registry Number 114133-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O6
InChI InChI=1S/C22H18O6/c23-21(12-10-17-9-11-19-20(15-17)28-16-27-19)25-13-5-2-6-14-26-22(24)18-7-3-1-4-8-18/h1-12,14-15H,13,16H2/b5-2+,12-10+,14-6+
InChIKey DYALEMVTIHNSPQ-DPPLYCNPSA-N
Molecular Weight 378.380 g/mol
SMILES C(=O)(c1ccccc1)O\C=C\C=C\COC(\C=C\c1cc2OCOc2cc1)=O
SPLASH splash10-0a4i-0900000000-654a92c37c2dddbb47b5
Source of Spectrum J-53-1869-19
Wiley ID 1358832