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Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexadecyl ester
SpectraBase Compound ID DJHpNr6WC4V
InChI InChI=1S/C31H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-34-30(32)21-20-22-31(33)35-29(26-28(4)5)24-23-27(2)3/h28-29H,2,6-22,25-26H2,1,3-5H3
InChIKey AXGZKXRZKUBPQU-UHFFFAOYSA-N
Mol Weight 490.8 g/mol
Molecular Formula C31H54O4
Exact Mass 490.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eBJL4dAWgX
Name Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.402210215 u
Formula C31H54O4
InChI InChI=1S/C31H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-34-30(32)21-20-22-31(33)35-29(26-28(4)5)24-23-27(2)3/h28-29H,2,6-22,25-26H2,1,3-5H3
InChIKey AXGZKXRZKUBPQU-UHFFFAOYSA-N
Molecular Weight 490.769 g/mol
SMILES CC(CC(OC(CCCC(OCCCCCCCCCCCCCCCC)=O)=O)C#CC(=C)C)C