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Fumaric acid, cyclopentylmethyl hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, cyclopentylmethyl hexadecyl ester
SpectraBase Compound ID 2FfBIN3B7Mf
InChI InChI=1S/C26H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-29-25(27)20-21-26(28)30-23-24-18-15-16-19-24/h20-21,24H,2-19,22-23H2,1H3/b21-20+
InChIKey GIVCGMISGBNVOJ-QZQOTICOSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9uyqGMTGxez
Name Fumaric acid, cyclopentylmethyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-29-25(27)20-21-26(28)30-23-24-18-15-16-19-24/h20-21,24H,2-19,22-23H2,1H3/b21-20+
InChIKey GIVCGMISGBNVOJ-QZQOTICOSA-N
Molecular Weight 422.650 g/mol
SMILES C1CCCC1COC(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O