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

*Links on SpectraBase are not permalinks.

Fumaric acid, dodecyl 4-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, dodecyl 4-phenoxybenzyl ester
SpectraBase Compound ID HrkxpwyFTS2
InChI InChI=1S/C29H38O5/c1-2-3-4-5-6-7-8-9-10-14-23-32-28(30)21-22-29(31)33-24-25-17-19-27(20-18-25)34-26-15-12-11-13-16-26/h11-13,15-22H,2-10,14,23-24H2,1H3/b22-21+
InChIKey KKDQGLCUBLUSHV-QURGRASLSA-N
Mol Weight 466.6 g/mol
Molecular Formula C29H38O5
Exact Mass 466.271924 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 BsvuI5tsWj1
Name Fumaric acid, dodecyl 4-phenoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.271924319 u
Formula C29H38O5
InChI InChI=1S/C29H38O5/c1-2-3-4-5-6-7-8-9-10-14-23-32-28(30)21-22-29(31)33-24-25-17-19-27(20-18-25)34-26-15-12-11-13-16-26/h11-13,15-22H,2-10,14,23-24H2,1H3/b22-21+
InChIKey KKDQGLCUBLUSHV-QURGRASLSA-N
Molecular Weight 466.618 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCC)=O)(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O