| SpectraBase Compound ID | C9Aah560p4C |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-5-6-7-8-9-12-19-15(17)10-11-16(18)20-13-14(2)3/h10-11,14H,4-9,12-13H2,1-3H3/b11-10+ |
| InChIKey | QZHOTNXPLNBXJQ-ZHACJKMWSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AgmKOrsqTc |
|---|---|
| Name | Fumaric acid, isobutyl octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-4-5-6-7-8-9-12-19-15(17)10-11-16(18)20-13-14(2)3/h10-11,14H,4-9,12-13H2,1-3H3/b11-10+ |
| InChIKey | QZHOTNXPLNBXJQ-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90655 |