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2-Butenedioic acid (E)-, 5-(benzoyloxy)-2,4-pentadienyl ethyl ester, (E,E)-
SpectraBase Compound ID 8EFl8MUzywl
InChI InChI=1S/C18H18O6/c1-2-22-16(19)11-12-17(20)23-13-7-4-8-14-24-18(21)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3/b7-4+,12-11+,14-8+
InChIKey GUPWJQSAWVMCHJ-IXOQFRQYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nx611kIceM
Name 2-Butenedioic acid (E)-, 5-(benzoyloxy)-2,4-pentadienyl ethyl ester, (E,E)-
Alternate Name(s) 1-(benzoyloxy)-5-[(ethoxyfumaroyl)oxy]-1(E),3(E)-pentadiene 1-[(2E,4E)-5-(benzoyloxy)-2,4-pentadienyl]4-ethyl (2E)-2-butenedioate
CAS Registry Number 97308-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-2-22-16(19)11-12-17(20)23-13-7-4-8-14-24-18(21)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3/b7-4+,12-11+,14-8+
InChIKey GUPWJQSAWVMCHJ-IXOQFRQYSA-N
Molecular Weight 330.336 g/mol
SMILES C(=O)(c1ccccc1)O\C=C\C=C\COC(\C=C\C(=O)OCC)=O
SPLASH splash10-0a4i-0900000000-c342b5dfd2d51313c87f
Source of Spectrum J-53-1868-13
Wiley ID 1327800