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Fumaric acid, cyclobutyl octadecyl ester

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

Fumaric acid, cyclobutyl octadecyl ester
SpectraBase Compound ID 3RCKgiacZ7W
InChI InChI=1S/C26H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-25(27)21-22-26(28)30-24-19-18-20-24/h21-22,24H,2-20,23H2,1H3/b22-21+
InChIKey VAAJHQNTIRMJID-QURGRASLSA-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 Kq4PQk4BoIi
Name Fumaric acid, cyclobutyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-25(27)21-22-26(28)30-24-19-18-20-24/h21-22,24H,2-20,23H2,1H3/b22-21+
InChIKey VAAJHQNTIRMJID-QURGRASLSA-N
Molecular Weight 422.650 g/mol
SMILES C(OC1CCC1)(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O