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

*Links on SpectraBase are not permalinks.

Dimethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester
SpectraBase Compound ID A2eYLYC19fn
InChI InChI=1S/C30H50O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-28(31)30(4,5)29(32)35-27-23-20-19-22-26(27)34-25(2)3/h19-20,22-23,25H,6-18,21,24H2,1-5H3
InChIKey VRMQUQNACGGLIQ-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 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 1YhmeexDIox
Name Dimethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.365824705 u
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-28(31)30(4,5)29(32)35-27-23-20-19-22-26(27)34-25(2)3/h19-20,22-23,25H,6-18,21,24H2,1-5H3
InChIKey VRMQUQNACGGLIQ-UHFFFAOYSA-N
Molecular Weight 490.725 g/mol
SMILES C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCC)=O)OC(C)C