| SpectraBase Compound ID | EFTQtcZwDhB |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-3-12(11-7-5-4-6-8-11)13(15)9-16-10(2)14/h4-8,12H,3,9H2,1-2H3 |
| InChIKey | BJTAUGAHICGDHX-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 80TlCr3xEeJ |
|---|---|
| Name | 1-Acetoxy-3-phenyl-2-pentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-3-12(11-7-5-4-6-8-11)13(15)9-16-10(2)14/h4-8,12H,3,9H2,1-2H3 |
| InChIKey | BJTAUGAHICGDHX-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(C(C=1C=CC=CC1)CC)(COC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942615 |