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Fumaric acid, 2-butyl eicosyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-butyl eicosyl ester
SpectraBase Compound ID zrl3TNqUDw
InChI InChI=1S/C28H52O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31-27(29)23-24-28(30)32-26(3)5-2/h23-24,26H,4-22,25H2,1-3H3/b24-23+
InChIKey KROOSDKWDJWJIS-WCWDXBQESA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHX27qsgB2X
Name Fumaric acid, 2-butyl eicosyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31-27(29)23-24-28(30)32-26(3)5-2/h23-24,26H,4-22,25H2,1-3H3/b24-23+
InChIKey KROOSDKWDJWJIS-WCWDXBQESA-N
Molecular Weight 452.720 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCCCCCC)=O)(OC(CC)C)=O