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

*Links on SpectraBase are not permalinks.

Fumaric acid, eicosyl 2-methylpentyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, eicosyl 2-methylpentyl ester
SpectraBase Compound ID 1QiNfgqrFH4
InChI InChI=1S/C30H56O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-33-29(31)24-25-30(32)34-27-28(3)23-5-2/h24-25,28H,4-23,26-27H2,1-3H3/b25-24+
InChIKey ZIXMAAYGENNJQA-OCOZRVBESA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 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 5kCR26qkKq5
Name Fumaric acid, eicosyl 2-methylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-33-29(31)24-25-30(32)34-27-28(3)23-5-2/h24-25,28H,4-23,26-27H2,1-3H3/b25-24+
InChIKey ZIXMAAYGENNJQA-OCOZRVBESA-N
Molecular Weight 480.774 g/mol
SMILES C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCCCCCCCCCC)=O)=O