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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2-naphthyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-naphthyl octyl ester
SpectraBase Compound ID CwGe4oZYYDi
InChI InChI=1S/C25H34O4/c1-4-7-8-9-10-13-18-28-23(26)25(5-2,6-3)24(27)29-22-17-16-20-14-11-12-15-21(20)19-22/h11-12,14-17,19H,4-10,13,18H2,1-3H3
InChIKey SSNNGFMNQKLFSN-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 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 2Y5Ssyix9RX
Name Diethylmalonic acid, 2-naphthyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-4-7-8-9-10-13-18-28-23(26)25(5-2,6-3)24(27)29-22-17-16-20-14-11-12-15-21(20)19-22/h11-12,14-17,19H,4-10,13,18H2,1-3H3
InChIKey SSNNGFMNQKLFSN-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES CCC(C(OCCCCCCCC)=O)(C(OC1=CC2=C(C=C1)C=CC=C2)=O)CC