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Glutaric acid, 3-methylbut-2-en-1-yl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-methylbut-2-en-1-yl heptadecyl ester
SpectraBase Compound ID 7DdU6lJ6pL9
InChI InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(28)20-19-21-27(29)31-24-22-25(2)3/h22H,4-21,23-24H2,1-3H3
InChIKey UPDINYDGLWLCHE-UHFFFAOYSA-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 73zgeccHiSB
Name Glutaric acid, 3-methylbut-2-en-1-yl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(28)20-19-21-27(29)31-24-22-25(2)3/h22H,4-21,23-24H2,1-3H3
InChIKey UPDINYDGLWLCHE-UHFFFAOYSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCC(OCC=C(C)C)=O)C(OCCCCCCCCCCCCCCCCC)=O