| SpectraBase Compound ID | HP2wHWVvTW4 |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+ |
| InChIKey | RSRICHZMFPHXLE-AATRIKPKSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | T67Fhnp9mC |
|---|---|
| Name | Fumaric acid, diisobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+ |
| InChIKey | RSRICHZMFPHXLE-AATRIKPKSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.955055 |