| SpectraBase Spectrum ID |
7wKIDjP5uCc |
| Name |
Succinic acid, hex-4-yn-3-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.167459249 u |
| Formula |
C15H24O4 |
| InChI |
InChI=1S/C15H24O4/c1-4-7-8-12-18-14(16)10-11-15(17)19-13(6-3)9-5-2/h13H,4,6-8,10-12H2,1-3H3 |
| InChIKey |
ZPGZJDKXZYWDKZ-UHFFFAOYSA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
C(CCC(OC(CC)C#CC)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904065 |
