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

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2-propylphenyl ester
SpectraBase Compound ID DOtvmCpWDDL
InChI InChI=1S/C27H40O4/c1-3-5-6-7-8-9-10-11-12-13-16-23-30-26(28)21-17-22-27(29)31-25-20-15-14-19-24(25)18-4-2/h14-15,19-20H,3-12,17-18,21-23H2,1-2H3
InChIKey BIGJDFNFGWQNRK-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LJbkdyQEfy
Name Glutaric acid, tridec-2-yn-1-yl 2-propylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.292659764 u
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-3-5-6-7-8-9-10-11-12-13-16-23-30-26(28)21-17-22-27(29)31-25-20-15-14-19-24(25)18-4-2/h14-15,19-20H,3-12,17-18,21-23H2,1-2H3
InChIKey BIGJDFNFGWQNRK-UHFFFAOYSA-N
Molecular Weight 428.613 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O