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Fumaric acid, cycloheptyl hexadecyl ester

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

Fumaric acid, cycloheptyl hexadecyl ester
SpectraBase Compound ID 8OeHVaipfyK
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-24-30-26(28)22-23-27(29)31-25-20-17-14-15-18-21-25/h22-23,25H,2-21,24H2,1H3/b23-22+
InChIKey UWPHPNJELHDHAL-GHVJWSGMSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLhoVAmFhyY
Name Fumaric acid, cycloheptyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-24-30-26(28)22-23-27(29)31-25-20-17-14-15-18-21-25/h22-23,25H,2-21,24H2,1H3/b23-22+
InChIKey UWPHPNJELHDHAL-GHVJWSGMSA-N
Molecular Weight 436.677 g/mol
SMILES C1(CCCCCC1)OC(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O