For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Dimethylmalonic acid, 4-acetylphenyl hexadecyl ester
SpectraBase Compound ID DPrneV3IjeL
InChI InChI=1S/C29H46O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-27(31)29(3,4)28(32)34-26-21-19-25(20-22-26)24(2)30/h19-22H,5-18,23H2,1-4H3
InChIKey DZXPBZNSTRTGAJ-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C29H46O5
Exact Mass 474.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HlxStKb5iWW
Name Dimethylmalonic acid, 4-acetylphenyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.334524576 u
Formula C29H46O5
InChI InChI=1S/C29H46O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-27(31)29(3,4)28(32)34-26-21-19-25(20-22-26)24(2)30/h19-22H,5-18,23H2,1-4H3
InChIKey DZXPBZNSTRTGAJ-UHFFFAOYSA-N
Molecular Weight 474.682 g/mol
SMILES CC(C1=CC=C(C=C1)OC(C(C(OCCCCCCCCCCCCCCCC)=O)(C)C)=O)=O