| SpectraBase Spectrum ID |
raMnOnyh7t |
| Name |
Succinic acid, tridec-2-yn-1-yl 3-hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-26-22(24)18-19-23(25)27-21(6-3)17-5-2/h21H,4-14,17-20H2,1-3H3 |
| InChIKey |
WKBIHEIBRLHEQK-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(CC(OCC#CCCCCCCCCCC)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896923 |
