| SpectraBase Compound ID | FgDCqPCB1iM |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-3-11-9(10)4-7(2)12-5-8-6-13-8/h4,8H,3,5-6H2,1-2H3/b7-4+ |
| InChIKey | ZXWVSUYSTKGBDW-QPJJXVBHSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KZGGduXqiXi |
|---|---|
| Name | Ethyl trans-3-oxiranylmethoxy-2-butenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-3-11-9(10)4-7(2)12-5-8-6-13-8/h4,8H,3,5-6H2,1-2H3/b7-4+ |
| InChIKey | ZXWVSUYSTKGBDW-QPJJXVBHSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(\C=C/(OCC1OC1)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950446 |