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Succinic acid, tridec-2-yn-1-yl 3-methoxyphenyl ester
SpectraBase Compound ID 6ycMypjN2pH
InChI InChI=1S/C24H34O5/c1-3-4-5-6-7-8-9-10-11-12-13-19-28-23(25)17-18-24(26)29-22-16-14-15-21(20-22)27-2/h14-16,20H,3-11,17-19H2,1-2H3
InChIKey WPLMOOSYHNKBHV-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H34O5
Exact Mass 402.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BMSMY3y0LS
Name Succinic acid, tridec-2-yn-1-yl 3-methoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.240624190 u
Formula C24H34O5
InChI InChI=1S/C24H34O5/c1-3-4-5-6-7-8-9-10-11-12-13-19-28-23(25)17-18-24(26)29-22-16-14-15-21(20-22)27-2/h14-16,20H,3-11,17-19H2,1-2H3
InChIKey WPLMOOSYHNKBHV-UHFFFAOYSA-N
Molecular Weight 402.531 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC1=CC=CC(=C1)OC)=O