| SpectraBase Compound ID | ERZ9aFQJ4ca |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-3-4-12(14)15-11-7-5-10(6-8-11)9(2)13/h5-8H,3-4H2,1-2H3 |
| InChIKey | RYTHEBVKPXYWPM-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 | EiPe9IEvkHo |
|---|---|
| Name | 4-Acetylphenyl butyrate |
| 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/c1-3-4-12(14)15-11-7-5-10(6-8-11)9(2)13/h5-8H,3-4H2,1-2H3 |
| InChIKey | RYTHEBVKPXYWPM-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(C(OC=1C=CC(=CC1)C(C)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955806 |