| SpectraBase Compound ID | 7jmpYrclUx8 |
|---|---|
| InChI | InChI=1S/C9H12O4/c1-3-12-9(11)5-7-4-8(10)6(2)13-7/h4,6H,3,5H2,1-2H3 |
| InChIKey | UBJPVEZBDXAHJQ-UHFFFAOYSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C9H12O4 |
| Exact Mass | 184.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J3sZ65Cx9nY |
|---|---|
| Name | 5-Ethoxycarbonylmethyl-2-methyl-3(2H)furanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.073558862 u |
| Formula | C9H12O4 |
| InChI | InChI=1S/C9H12O4/c1-3-12-9(11)5-7-4-8(10)6(2)13-7/h4,6H,3,5H2,1-2H3 |
| InChIKey | UBJPVEZBDXAHJQ-UHFFFAOYSA-N |
| Molecular Weight | 184.191 g/mol |
| SMILES | C1(=CC(=O)C(O1)C)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8297 |