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

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl 2-propylphenyl ester
SpectraBase Compound ID HngNmcJ9Ehr
InChI InChI=1S/C26H38O4/c1-3-5-6-7-8-9-10-11-12-13-16-22-29-25(27)20-21-26(28)30-24-19-15-14-18-23(24)17-4-2/h14-15,18-19H,3-12,17,20-22H2,1-2H3
InChIKey JCEYNAUOMNVISY-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4g6NbSogxCy
Name Succinic 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 414.277009700 u
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-3-5-6-7-8-9-10-11-12-13-16-22-29-25(27)20-21-26(28)30-24-19-15-14-18-23(24)17-4-2/h14-15,18-19H,3-12,17,20-22H2,1-2H3
InChIKey JCEYNAUOMNVISY-UHFFFAOYSA-N
Molecular Weight 414.586 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O