| SpectraBase Compound ID | JrMefJFgH53 |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-3-5-6-7(8(10)11)9(12)13-4-2/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | IGGGSAHINVSGTM-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KYIxwW1is9C |
|---|---|
| Name | Malonic acid, butyl-, monoethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-3-5-6-7(8(10)11)9(12)13-4-2/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | IGGGSAHINVSGTM-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(CC(C(=O)OCC)C(O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989694 |