| SpectraBase Compound ID | 8NpBmVnTfXU |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-3-11-8-6-5-7-9(10)12-4-2/h6,8H,3-5,7H2,1-2H3/b8-6+ |
| InChIKey | QXWNTLCCHHATAZ-SOFGYWHQSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5O4XEGs4jKv |
|---|---|
| Name | 4-Pentenoic acid, 5-ethoxy-, ethyl ester, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-3-11-8-6-5-7-9(10)12-4-2/h6,8H,3-5,7H2,1-2H3/b8-6+ |
| InChIKey | QXWNTLCCHHATAZ-SOFGYWHQSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(C(OCC)=O)C\C=C\OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987247 |