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Glutaric acid, hex-4-yn-3-yl octadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hex-4-yn-3-yl octadecyl ester
SpectraBase Compound ID HSgADkw0U7s
InChI InChI=1S/C29H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-32-28(30)24-22-25-29(31)33-27(6-3)23-5-2/h27H,4,6-22,24-26H2,1-3H3
InChIKey XZTFFKSJRJTTGI-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyH5OH3gU5x
Name Glutaric acid, hex-4-yn-3-yl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-32-28(30)24-22-25-29(31)33-27(6-3)23-5-2/h27H,4,6-22,24-26H2,1-3H3
InChIKey XZTFFKSJRJTTGI-UHFFFAOYSA-N
Molecular Weight 464.731 g/mol
SMILES CCC(OC(CCCC(OCCCCCCCCCCCCCCCCCC)=O)=O)C#CC