| SpectraBase Compound ID | HuKYRsJCoC0 |
|---|---|
| InChI | InChI=1S/C14H22O5/c1-2-3-4-9-18-13(15)7-8-14(16)19-11-12-6-5-10-17-12/h7-8,12H,2-6,9-11H2,1H3/b8-7+ |
| InChIKey | CJUXAZOIKBXTKE-BQYQJAHWSA-N |
| Mol Weight | 270.32 g/mol |
| Molecular Formula | C14H22O5 |
| Exact Mass | 270.146724 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | qxCEaZXVW5 |
|---|---|
| Name | Fumaric acid, pentyl tetrahydrofurfuryl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.146723803 u |
| Formula | C14H22O5 |
| InChI | InChI=1S/C14H22O5/c1-2-3-4-9-18-13(15)7-8-14(16)19-11-12-6-5-10-17-12/h7-8,12H,2-6,9-11H2,1H3/b8-7+ |
| InChIKey | CJUXAZOIKBXTKE-BQYQJAHWSA-N |
| SMILES | CCCCCOC(\C=C\C(OCC1CCCO1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978315 |