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

*Links on SpectraBase are not permalinks.

Fumaric acid, 4-phenylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 4-phenylphenyl undecyl ester
SpectraBase Compound ID BW9WwARZmqQ
InChI InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-13-22-30-26(28)20-21-27(29)31-25-18-16-24(17-19-25)23-14-11-10-12-15-23/h10-12,14-21H,2-9,13,22H2,1H3/b21-20+
InChIKey PCXNPXFWWRYYTR-QZQOTICOSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 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 Jv2wddL9qYu
Name Fumaric acid, 4-phenylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.245709571 u
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-13-22-30-26(28)20-21-27(29)31-25-18-16-24(17-19-25)23-14-11-10-12-15-23/h10-12,14-21H,2-9,13,22H2,1H3/b21-20+
InChIKey PCXNPXFWWRYYTR-QZQOTICOSA-N
Molecular Weight 422.565 g/mol
SMILES C(OC1=CC=C(C2=CC=CC=C2)C=C1)(\C=C\C(OCCCCCCCCCCC)=O)=O