| SpectraBase Spectrum ID |
7STRMdamERN |
| Name |
Glutaric acid, di(tridec-2-ynyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.386560150 u |
| Formula |
C31H52O4 |
| InChI |
InChI=1S/C31H52O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-25-27-31(33)35-29-24-22-20-18-16-14-12-10-8-6-4-2/h3-20,25-29H2,1-2H3 |
| InChIKey |
WJYYNLNKYUALCD-UHFFFAOYSA-N |
| Molecular Weight |
488.753 g/mol |
| SMILES |
CCCCCCCCCCC#CCOC(CCCC(OCC#CCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962919 |
