| SpectraBase Compound ID | Hn5yJ9JHVen |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-3-5-7-11-17-13(15)9-8-12(14)16-10-6-4-2/h3H,1,4-11H2,2H3 |
| InChIKey | UUOYQQSCROZCGV-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | tAV9laMjo |
|---|---|
| Name | Succinic acid, butyl pent-4-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/c1-3-5-7-11-17-13(15)9-8-12(14)16-10-6-4-2/h3H,1,4-11H2,2H3 |
| InChIKey | UUOYQQSCROZCGV-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C=CCCCOC(CCC(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956989 |