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

View entire compound with spectra: 1 NMR

Glutaric acid, octadecyl non-5-yn-3-yl ester
SpectraBase Compound ID 6kpMVsLf2jA
InChI InChI=1S/C32H58O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-29-35-31(33)27-25-28-32(34)36-30(6-3)26-23-10-8-5-2/h30H,4-9,11-22,24-29H2,1-3H3
InChIKey MHMQADCCAYHXNJ-UHFFFAOYSA-N
Mol Weight 506.8 g/mol
Molecular Formula C32H58O4
Exact Mass 506.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IZ1N66ksnF
Name Glutaric acid, octadecyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.433510344 u
Formula C32H58O4
InChI InChI=1S/C32H58O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-29-35-31(33)27-25-28-32(34)36-30(6-3)26-23-10-8-5-2/h30H,4-9,11-22,24-29H2,1-3H3
InChIKey MHMQADCCAYHXNJ-UHFFFAOYSA-N
Molecular Weight 506.812 g/mol
SMILES C(C#CCC(OC(CCCC(OCCCCCCCCCCCCCCCCCC)=O)=O)CC)CC