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2,4-Dioxo-3-pentyl 4-[[4-(n-decyloxy)benzyl]oxy]benzoate
SpectraBase Compound ID AP03tJYuOiq
InChI InChI=1S/C29H38O6/c1-4-5-6-7-8-9-10-11-20-33-26-16-12-24(13-17-26)21-34-27-18-14-25(15-19-27)29(32)35-28(22(2)30)23(3)31/h12-19,28H,4-11,20-21H2,1-3H3
InChIKey BYHVHDXXVSSKNS-UHFFFAOYSA-N
Mol Weight 482.6 g/mol
Molecular Formula C29H38O6
Exact Mass 482.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaK9v0sNpSB
Name 2,4-Dioxo-3-pentyl 4-[[4-(n-decyloxy)benzyl]oxy]benzoate
Alternate Name(s) 1-Acetyl-2-oxopropyl 4-{[4-(decyloxy)benzyl]oxy}benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O6
InChI InChI=1S/C29H38O6/c1-4-5-6-7-8-9-10-11-20-33-26-16-12-24(13-17-26)21-34-27-18-14-25(15-19-27)29(32)35-28(22(2)30)23(3)31/h12-19,28H,4-11,20-21H2,1-3H3
InChIKey BYHVHDXXVSSKNS-UHFFFAOYSA-N
Molecular Weight 482.617 g/mol
SMILES C(OC(C(=O)C)C(=O)C)(c1ccc(OCc2ccc(cc2)OCCCCCCCCCC)cc1)=O
SPLASH splash10-0a4r-9006000000-89f247435d6a31bebed9
Source of Spectrum AU-672-92-4
Wiley ID 1575621