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

*Links on SpectraBase are not permalinks.

Dodecanoic acid, 1,1'-biphenyl-4-ylcarbonylmethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Dodecanoic acid, 1,1'-biphenyl-4-ylcarbonylmethyl ester
SpectraBase Compound ID He0oQ3SorZV
InChI InChI=1S/C26H34O3/c1-2-3-4-5-6-7-8-9-13-16-26(28)29-21-25(27)24-19-17-23(18-20-24)22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16,21H2,1H3
InChIKey FQLBSEGUJXFREL-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C26H34O3
Exact Mass 394.250795 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 5k5ui4rx05K
Name Dodecanoic acid, 1,1'-biphenyl-4-ylcarbonylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.250794952 u
Formula C26H34O3
InChI InChI=1S/C26H34O3/c1-2-3-4-5-6-7-8-9-13-16-26(28)29-21-25(27)24-19-17-23(18-20-24)22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16,21H2,1H3
InChIKey FQLBSEGUJXFREL-UHFFFAOYSA-N
Molecular Weight 394.555 g/mol
SMILES C1=CC(C2=CC=C(C(COC(=O)CCCCCCCCCCC)=O)C=C2)=CC=C1