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Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tetradecyl ester
SpectraBase Compound ID EUno4q5YI5M
InChI InChI=1S/C30H52O4/c1-6-8-9-10-11-12-13-14-15-16-17-18-25-33-29(31)21-19-22-30(32)34-28(24-23-26(3)4)27(5)20-7-2/h27-28H,3,6-22,25H2,1-2,4-5H3
InChIKey NRFILSBXZJOGDV-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C30H52O4
Exact Mass 476.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbsKEsmBmaA
Name Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 476.386560150 u
Formula C30H52O4
InChI InChI=1S/C30H52O4/c1-6-8-9-10-11-12-13-14-15-16-17-18-25-33-29(31)21-19-22-30(32)34-28(24-23-26(3)4)27(5)20-7-2/h27-28H,3,6-22,25H2,1-2,4-5H3
InChIKey NRFILSBXZJOGDV-UHFFFAOYSA-N
Molecular Weight 476.742 g/mol
SMILES C=C(C#CC(OC(CCCC(OCCCCCCCCCCCCCC)=O)=O)C(CCC)C)C