| SpectraBase Compound ID | 4sH2XUBx4sq |
|---|---|
| InChI | InChI=1S/C10H14O4/c1-4-13-9(11)5-6-10(12)14-7-8(2)3/h5-6H,2,4,7H2,1,3H3/b6-5+ |
| InChIKey | FKLMNNOQJLBVNT-AATRIKPKSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C10H14O4 |
| Exact Mass | 198.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CDzoNB4RwcP |
|---|---|
| Name | Fumaric acid, ethyl 2-methylallyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.089208927 u |
| Formula | C10H14O4 |
| InChI | InChI=1S/C10H14O4/c1-4-13-9(11)5-6-10(12)14-7-8(2)3/h5-6H,2,4,7H2,1,3H3/b6-5+ |
| InChIKey | FKLMNNOQJLBVNT-AATRIKPKSA-N |
| Molecular Weight | 198.218 g/mol |
| SMILES | C(\C=C\C(OCC(=C)C)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891646 |