| SpectraBase Spectrum ID |
FDvkwe8bOmH |
| Name |
Adipic acid, pentyl tridec-2-yn-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-3-5-7-8-9-10-11-12-13-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-6-4-2/h3-13,15-17,19-22H2,1-2H3 |
| InChIKey |
HSJQESOLJWMQLP-UHFFFAOYSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(=O)(CCCCC(OCCCCC)=O)OCC#CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91418 |
