| SpectraBase Compound ID | FPcG9sJl4XT |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-3-5-8-14-10(12)7-6-9(11)13-4-2/h6-7H,3-5,8H2,1-2H3/b7-6+ |
| InChIKey | FGGPJCOTXDEUMT-VOTSOKGWSA-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 | 57CcdsfdGQT |
|---|---|
| Name | Fumaric acid, butyl ethyl 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/c1-3-5-8-14-10(12)7-6-9(11)13-4-2/h6-7H,3-5,8H2,1-2H3/b7-6+ |
| InChIKey | FGGPJCOTXDEUMT-VOTSOKGWSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C(\C=C\C(OCC)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955319 |