| SpectraBase Spectrum ID |
KxPbgqOzvx1 |
| Name |
Succinic acid, tridec-2-yn-1-yl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883465 |
