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Fumaric acid, non-5-yn-3-yl pentadecyl ester

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

Fumaric acid, non-5-yn-3-yl pentadecyl ester
SpectraBase Compound ID 5gbPCJaBnIe
InChI InChI=1S/C28H48O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-24-28(30)32-26(6-3)22-20-10-8-5-2/h23-24,26H,4-9,11-19,21-22,25H2,1-3H3/b24-23+
InChIKey KADYQPZOEFJZQU-WCWDXBQESA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNVpdKMB6h
Name Fumaric acid, non-5-yn-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.355260022 u
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-24-28(30)32-26(6-3)22-20-10-8-5-2/h23-24,26H,4-9,11-19,21-22,25H2,1-3H3/b24-23+
InChIKey KADYQPZOEFJZQU-WCWDXBQESA-N
Molecular Weight 448.688 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCC)=O)(OC(CC#CCCC)CC)=O