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2-Propynoic acid, 3-phenyl-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E)-
SpectraBase Compound ID J2jjvjnYrKL
InChI InChI=1S/C21H16O4/c22-20(15-14-18-10-4-1-5-11-18)24-16-8-3-9-17-25-21(23)19-12-6-2-7-13-19/h1-13,17H,16H2/b8-3+,17-9+
InChIKey WKUAXGCGXPBOON-KOSHFZKLSA-N
Mol Weight 332.36 g/mol
Molecular Formula C21H16O4
Exact Mass 332.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6vHObaQXo3
Name 2-Propynoic acid, 3-phenyl-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E)-
Alternate Name(s) (1E,3E)-5-[(3-phenyl-2-propynoyl)oxy]-1,3-pentadienyl benzoate 1-(benzoyloxy)-5-[(phenylpropynoyl)oxy]-1(E),3(E)-pentadiene
CAS Registry Number 114133-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O4
InChI InChI=1S/C21H16O4/c22-20(15-14-18-10-4-1-5-11-18)24-16-8-3-9-17-25-21(23)19-12-6-2-7-13-19/h1-13,17H,16H2/b8-3+,17-9+
InChIKey WKUAXGCGXPBOON-KOSHFZKLSA-N
Molecular Weight 332.355 g/mol
SMILES C(#Cc1ccccc1)C(=O)OC\C=C\C=C\OC(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-b27690d559433f387238
Source of Spectrum J-53-1869-24
Wiley ID 1329660