| SpectraBase Compound ID | Jxcsx9jDpZK |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-3-5-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-6-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+ |
| InChIKey | MUVRTIWKKQDHTG-CMDGGOBGSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6b3udcvbP5A |
|---|---|
| Name | Succinic acid, butyl non-4-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-3-5-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-6-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+ |
| InChIKey | MUVRTIWKKQDHTG-CMDGGOBGSA-N |
| SMILES | CCCC\C=C\CCCOC(CCC(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981076 |