| SpectraBase Compound ID | 8Y0yNy6lu3W |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-4-13-9(11)5-6-10(12)14-7-8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+ |
| InChIKey | SEKSGOSKIRTOJU-AATRIKPKSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FEnIq6uYELQ |
|---|---|
| Name | Fumaric acid, ethyl isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-4-13-9(11)5-6-10(12)14-7-8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+ |
| InChIKey | SEKSGOSKIRTOJU-AATRIKPKSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C(OC(\C=C\C(OCC(C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945723 |