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Fumaric acid, 3-methylbut-2-yl octadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3-methylbut-2-yl octadecyl ester
SpectraBase Compound ID 2fQ5yRWyvIM
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-26(28)21-22-27(29)31-25(4)24(2)3/h21-22,24-25H,5-20,23H2,1-4H3/b22-21+
InChIKey ZFDMIYUQICYKLT-QURGRASLSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqydZR0KsZZ
Name Fumaric acid, 3-methylbut-2-yl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-26(28)21-22-27(29)31-25(4)24(2)3/h21-22,24-25H,5-20,23H2,1-4H3/b22-21+
InChIKey ZFDMIYUQICYKLT-QURGRASLSA-N
Molecular Weight 438.693 g/mol
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCCCCCCCCC)=O