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2,4-Dioxo-3-pentyl 4-[[4-(n-decyloxy)cinnamoyl]oxy]cinnate
SpectraBase Compound ID 2vV76EIKLDa
InChI InChI=1S/C33H40O7/c1-4-5-6-7-8-9-10-11-24-38-29-18-12-27(13-19-29)16-22-31(36)39-30-20-14-28(15-21-30)17-23-32(37)40-33(25(2)34)26(3)35/h12-23,33H,4-11,24H2,1-3H3/b22-16+,23-17+
InChIKey QPTMDYBIIBENDB-LKNRODPVSA-N
Mol Weight 548.7 g/mol
Molecular Formula C33H40O7
Exact Mass 548.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WBllhoBXIo
Name 2,4-Dioxo-3-pentyl 4-[[4-(n-decyloxy)cinnamoyl]oxy]cinnate
Comments Less than 3 mono-isotopic peaks
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Formula C33H40O7
InChI InChI=1S/C33H40O7/c1-4-5-6-7-8-9-10-11-24-38-29-18-12-27(13-19-29)16-22-31(36)39-30-20-14-28(15-21-30)17-23-32(37)40-33(25(2)34)26(3)35/h12-23,33H,4-11,24H2,1-3H3/b22-16+,23-17+
InChIKey QPTMDYBIIBENDB-LKNRODPVSA-N
Molecular Weight 548.676 g/mol
SMILES C(OC(\C=C\c1ccc(OC(\C=C\c2ccc(cc2)OCCCCCCCCCC)=O)cc1)=O)(C(=O)C)C(=O)C
SPLASH splash10-000i-0090000000-981e11c895593df939d1
Source of Spectrum AU-672-90-2
Wiley ID 1575623