| SpectraBase Compound ID | DEloLZRRRs8 |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-3-5-9-15-11(13)7-6-10(12)14-8-4-2/h4,6-7H,2-3,5,8-9H2,1H3/b7-6+ |
| InChIKey | DIGXOCVEAAIPAN-VOTSOKGWSA-N |
| Mol Weight | 212.24 g/mol |
| Molecular Formula | C11H16O4 |
| Exact Mass | 212.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8nLHEep7xTz |
|---|---|
| Name | Fumaric acid, allyl butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.104858991 u |
| Formula | C11H16O4 |
| InChI | InChI=1S/C11H16O4/c1-3-5-9-15-11(13)7-6-10(12)14-8-4-2/h4,6-7H,2-3,5,8-9H2,1H3/b7-6+ |
| InChIKey | DIGXOCVEAAIPAN-VOTSOKGWSA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | C(\C=C\C(OCC=C)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965801 |