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Fumaric acid, 2-decyl hexadecyl ester

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

Fumaric acid, 2-decyl hexadecyl ester
SpectraBase Compound ID 6kCXKSvdclP
InChI InChI=1S/C30H56O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-27-33-29(31)25-26-30(32)34-28(3)24-22-20-11-9-7-5-2/h25-26,28H,4-24,27H2,1-3H3/b26-25+
InChIKey SPEOPKDVGPNDSQ-OCEACIFDSA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETbhlooGxCL
Name Fumaric acid, 2-decyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-27-33-29(31)25-26-30(32)34-28(3)24-22-20-11-9-7-5-2/h25-26,28H,4-24,27H2,1-3H3/b26-25+
InChIKey SPEOPKDVGPNDSQ-OCEACIFDSA-N
Molecular Weight 480.774 g/mol
SMILES C(OC(CCCCCCCC)C)(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O