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4,6-Dimethoxy-2-[8-(butoxycarbonyl)octanoyloxy]phenyl 4-methoxybenzyl ketone
SpectraBase Compound ID IPtGCikRgHx
InChI InChI=1S/C30H40O8/c1-5-6-18-37-28(32)12-10-8-7-9-11-13-29(33)38-27-21-24(35-3)20-26(36-4)30(27)25(31)19-22-14-16-23(34-2)17-15-22/h14-17,20-21H,5-13,18-19H2,1-4H3
InChIKey WEUMQJKOSGAPRS-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C30H40O8
Exact Mass 528.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8RMEFoCi9VC
Name 4,6-Dimethoxy-2-[8-(butoxycarbonyl)octanoyloxy]phenyl 4-methoxybenzyl ketone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.272318240 u
Formula C30H40O8
InChI InChI=1S/C30H40O8/c1-5-6-18-37-28(32)12-10-8-7-9-11-13-29(33)38-27-21-24(35-3)20-26(36-4)30(27)25(31)19-22-14-16-23(34-2)17-15-22/h14-17,20-21H,5-13,18-19H2,1-4H3
InChIKey WEUMQJKOSGAPRS-UHFFFAOYSA-N
Molecular Weight 528.642 g/mol
SMILES C=1(C(=CC(=CC1OC)OC)OC(=O)CCCCCCCC(=O)OCCCC)C(CC1=CC=C(C=C1)OC)=O