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2-Butenedioic acid (E)-, 5-(benzoyloxy)-2,4-pentadienyl methyl ester, (E,E)-
SpectraBase Compound ID EB8QFL5dj7L
InChI InChI=1S/C17H16O6/c1-21-15(18)10-11-16(19)22-12-6-3-7-13-23-17(20)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/b6-3+,11-10+,13-7+
InChIKey ASYBWJVJUWZZIO-YQGQVWDTSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YdkBsL2ATe
Name 2-Butenedioic acid (E)-, 5-(benzoyloxy)-2,4-pentadienyl methyl ester, (E,E)-
Alternate Name(s) 1-(benzoyloxy)-5-[(methoxyfumaroyl)oxy]-1(E),3(E)-pentadiene 1-[(2E,4E)-5-(benzoyloxy)-2,4-pentadienyl]4-methyl (2E)-2-butenedioate
CAS Registry Number 114132-95-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-21-15(18)10-11-16(19)22-12-6-3-7-13-23-17(20)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/b6-3+,11-10+,13-7+
InChIKey ASYBWJVJUWZZIO-YQGQVWDTSA-N
Molecular Weight 316.309 g/mol
SMILES C(=O)(c1ccccc1)O\C=C\C=C\COC(\C=C\C(=O)OC)=O
SPLASH splash10-0a4i-0900000000-73dcb8b281505275f338
Source of Spectrum J-53-1868-13
Wiley ID 1316663