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2,4-Dioxo-3-pentyl 4-[[4-(n-decyloxy)benzyl]oxy]benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DpwXWR0sM8A
Name 2,4-Dioxo-3-pentyl 4-[[4-(N-decyloxy)benzyl]oxy]benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.266838938 u
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)(C1=CC=C(OCC2=CC=C(C=C2)OCCCCCCCCCC)C=C1)=O