| SpectraBase Spectrum ID |
1P3uzN0gnTI |
| Name |
Succinic acid, hex-4-yn-3-yl but-3-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-4-7-11-17-13(15)9-10-14(16)18-12(6-3)8-5-2/h4,12H,1,6-7,9-11H2,2-3H3 |
| InChIKey |
DQKSRAISZVQSHQ-UHFFFAOYSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C(CC(OC(CC)C#CC)=O)C(OCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976994 |
