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Homo-melodienone

View entire compound with spectra: 1 MS (GC)

Homo-melodienone
SpectraBase Compound ID 9SAHl0tqNSf
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-GOKBKIRCSA-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 AFbXhcem38f
Name Homo-melodienone
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-GOKBKIRCSA-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-a12cbd9a49ce21a38ec2
Source of Spectrum X2-54-505-4
Synonyms benzoic acid [(2E,5E)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] ester [(2E,5E)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] benzoate [(2E,5E)-7-ethoxy-4,7-dioxo-hepta-2,5-dienyl] benzoate [(2E,5E)-7-ethoxy-4,7-bis(oxidanylidene)hepta-2,5-dienyl] benzoate
Wiley ID 1603946