| SpectraBase Compound ID | 2maGuBkMVPO |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-10(13)9-12(14)15-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
| InChIKey | QOMFXOOKFCCSND-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KhVCb99dV5T |
|---|---|
| Name | Phenylethyl acetoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-10(13)9-12(14)15-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
| InChIKey | QOMFXOOKFCCSND-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C1=C(C=CC=C1)CCOC(CC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918367 |