| SpectraBase Compound ID | 4MJq728dTEE |
|---|---|
| InChI | InChI=1S/C8H12O5/c1-5(9)4-7(10)13-6(2)8(11)12-3/h6H,4H2,1-3H3 |
| InChIKey | OUPPGRPNUUAZLK-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C8H12O5 |
| Exact Mass | 188.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6tN5XlhdTLf |
|---|---|
| Name | 1-(Methoxycarbonyl)ethyl 3-oxobutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.068473481 u |
| Formula | C8H12O5 |
| InChI | InChI=1S/C8H12O5/c1-5(9)4-7(10)13-6(2)8(11)12-3/h6H,4H2,1-3H3 |
| InChIKey | OUPPGRPNUUAZLK-UHFFFAOYSA-N |
| Molecular Weight | 188.179 g/mol |
| SMILES | C(CC(=O)C)(OC(C(=O)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990749 |