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Succinic acid, tridec-2-yn-1-yl 3-phenylpropyl ester

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

Succinic acid, tridec-2-yn-1-yl 3-phenylpropyl ester
SpectraBase Compound ID 6RPTSIASEdy
InChI InChI=1S/C26H38O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-29-25(27)20-21-26(28)30-23-16-19-24-17-13-12-14-18-24/h12-14,17-18H,2-10,16,19-23H2,1H3
InChIKey MNQIHPXYKQJRFC-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 2SDKOljHpq4
Name Succinic acid, tridec-2-yn-1-yl 3-phenylpropyl 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/c1-2-3-4-5-6-7-8-9-10-11-15-22-29-25(27)20-21-26(28)30-23-16-19-24-17-13-12-14-18-24/h12-14,17-18H,2-10,16,19-23H2,1H3
InChIKey MNQIHPXYKQJRFC-UHFFFAOYSA-N
Molecular Weight 414.586 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OCCCC1=CC=CC=C1)=O