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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 4-biphenyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-biphenyl octyl ester
SpectraBase Compound ID 1dmlFR86yF0
InChI InChI=1S/C27H36O4/c1-4-7-8-9-10-14-21-30-25(28)27(5-2,6-3)26(29)31-24-19-17-23(18-20-24)22-15-12-11-13-16-22/h11-13,15-20H,4-10,14,21H2,1-3H3
InChIKey ZKKRXORKZIHHGX-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 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 FJutNLvLA1o
Name Diethylmalonic acid, 4-biphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-4-7-8-9-10-14-21-30-25(28)27(5-2,6-3)26(29)31-24-19-17-23(18-20-24)22-15-12-11-13-16-22/h11-13,15-20H,4-10,14,21H2,1-3H3
InChIKey ZKKRXORKZIHHGX-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES CCC(C(OCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC