| SpectraBase Compound ID | FjnxBIBUXPf |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+ |
| InChIKey | QMCVOSQFZZCSLN-VAWYXSNFSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 80ozZbCGzjg |
|---|---|
| Name | Fumaric acid, dihexyl 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/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+ |
| InChIKey | QMCVOSQFZZCSLN-VAWYXSNFSA-N |
| SMILES | CCCCCCOC(\C=C\C(OCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.995075 |