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 |