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Fumaric acid, 1-cyclopentylethyl heptadecyl ester

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

Fumaric acid, 1-cyclopentylethyl heptadecyl ester
SpectraBase Compound ID BfbYAgC2ZTK
InChI InChI=1S/C28H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-27(29)22-23-28(30)32-25(2)26-20-17-18-21-26/h22-23,25-26H,3-21,24H2,1-2H3/b23-22+
InChIKey QMHVUXQFDLKDQX-GHVJWSGMSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSD4TNt4ajY
Name Fumaric acid, 1-cyclopentylethyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-27(29)22-23-28(30)32-25(2)26-20-17-18-21-26/h22-23,25-26H,3-21,24H2,1-2H3/b23-22+
InChIKey QMHVUXQFDLKDQX-GHVJWSGMSA-N
Molecular Weight 450.704 g/mol
SMILES C(OC(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O)(C)C1CCCC1