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Homo-isomelodienone
SpectraBase Compound ID In3hyC5q9UN
InChI InChI=1S/C16H16O5/c1-2-20-15(18)11-10-14(17)9-6-12-21-16(19)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3/b9-6+,11-10-
InChIKey FCTFULMZKQYRQV-RQDFUGDESA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zeJyZJyiDz
Name Homo-isomelodienone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-2-20-15(18)11-10-14(17)9-6-12-21-16(19)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3/b9-6+,11-10-
InChIKey FCTFULMZKQYRQV-RQDFUGDESA-N
Molecular Weight 288.299 g/mol
SMILES C(=O)(c1ccccc1)OC\C=C\C(\C=C/C(=O)OCC)=O
SPLASH splash10-0a4i-0900000000-5dcd77ff77a80700d15c
Source of Spectrum X2-54-505-7
Synonyms benzoic acid [(2E,5Z)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] ester [(2E,5Z)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] benzoate [(2E,5Z)-7-ethoxy-4,7-dioxo-hepta-2,5-dienyl] benzoate [(2E,5Z)-7-ethoxy-4,7-bis(oxidanylidene)hepta-2,5-dienyl] benzoate
Wiley ID 1603947