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2,4-Dioxo-3-pentyl 4-[[4-(n-decyloxy)benzoyl]oxy]cinnate
SpectraBase Compound ID 7YnZK9db3MV
InChI InChI=1S/C31H38O7/c1-4-5-6-7-8-9-10-11-22-36-27-19-15-26(16-20-27)31(35)37-28-17-12-25(13-18-28)14-21-29(34)38-30(23(2)32)24(3)33/h12-21,30H,4-11,22H2,1-3H3/b21-14+
InChIKey WBPANTZOZLCXIR-KGENOOAVSA-N
Mol Weight 522.6 g/mol
Molecular Formula C31H38O7
Exact Mass 522.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FImWx7HKO2W
Name 2,4-Dioxo-3-pentyl 4-[[4-(n-decyloxy)benzoyl]oxy]cinnate
Comments Less than 3 mono-isotopic peaks
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Formula C31H38O7
InChI InChI=1S/C31H38O7/c1-4-5-6-7-8-9-10-11-22-36-27-19-15-26(16-20-27)31(35)37-28-17-12-25(13-18-28)14-21-29(34)38-30(23(2)32)24(3)33/h12-21,30H,4-11,22H2,1-3H3/b21-14+
InChIKey WBPANTZOZLCXIR-KGENOOAVSA-N
Molecular Weight 522.638 g/mol
SMILES C(Oc1ccc(\C=C\C(OC(C(=O)C)C(=O)C)=O)cc1)(c1ccc(cc1)OCCCCCCCCCC)=O
SPLASH splash10-00di-0900000000-5c4b957112ecacee543a
Source of Spectrum AU-672-90-3
Wiley ID 1575622