| SpectraBase Spectrum ID |
3Eu7Y7REnRZ |
| Name |
Succinic acid, propyl trans-hex-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-3-5-6-7-11-17-13(15)9-8-12(14)16-10-4-2/h5-6H,3-4,7-11H2,1-2H3/b6-5+ |
| InChIKey |
LDLIWNHOZGTWJR-AATRIKPKSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
C(OCC\C=C\CC)(CCC(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981459 |
