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Glutaric acid, tridec-2-yn-1-yl dodecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, tridec-2-yn-1-yl dodecyl ester
SpectraBase Compound ID Jsd0MOkrS6q
InChI InChI=1S/C30H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-24-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-20,22,24-28H2,1-2H3
InChIKey TYSZZNBNWDQQAU-UHFFFAOYSA-N
Mol Weight 478.8 g/mol
Molecular Formula C30H54O4
Exact Mass 478.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64Ig89tGuJL
Name Glutaric acid, tridec-2-yn-1-yl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.402210215 u
Formula C30H54O4
InChI InChI=1S/C30H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-24-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-20,22,24-28H2,1-2H3
InChIKey TYSZZNBNWDQQAU-UHFFFAOYSA-N
Molecular Weight 478.758 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OCCCCCCCCCCCC)=O