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Glutaric acid, non-5-yn-3-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, non-5-yn-3-yl tetradecyl ester
SpectraBase Compound ID 3rduBFW3UUj
InChI InChI=1S/C28H50O4/c1-4-7-9-11-12-13-14-15-16-17-18-20-25-31-27(29)23-21-24-28(30)32-26(6-3)22-19-10-8-5-2/h26H,4-9,11-18,20-25H2,1-3H3
InChIKey XUSQWBYOTSBKEG-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hHYn6JvUIL
Name Glutaric acid, non-5-yn-3-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-4-7-9-11-12-13-14-15-16-17-18-20-25-31-27(29)23-21-24-28(30)32-26(6-3)22-19-10-8-5-2/h26H,4-9,11-18,20-25H2,1-3H3
InChIKey XUSQWBYOTSBKEG-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C(C#CCC(OC(CCCC(OCCCCCCCCCCCCCC)=O)=O)CC)CC