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

*Links on SpectraBase are not permalinks.

Dimethylmalonic acid, 2-isopropoxyphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2-isopropoxyphenyl tridecyl ester
SpectraBase Compound ID BlWTwcnSTLy
InChI InChI=1S/C27H44O5/c1-6-7-8-9-10-11-12-13-14-15-18-21-30-25(28)27(4,5)26(29)32-24-20-17-16-19-23(24)31-22(2)3/h16-17,19-20,22H,6-15,18,21H2,1-5H3
InChIKey RPYOAPUFBGYSDH-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 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 GKP1tnacp07
Name Dimethylmalonic acid, 2-isopropoxyphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-6-7-8-9-10-11-12-13-14-15-18-21-30-25(28)27(4,5)26(29)32-24-20-17-16-19-23(24)31-22(2)3/h16-17,19-20,22H,6-15,18,21H2,1-5H3
InChIKey RPYOAPUFBGYSDH-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCCCCC)=O)OC(C)C