| SpectraBase Compound ID | 48T6C0KmhJZ |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-3-7-10-8-5-6-9-11(10)15-12(13)14-4-2/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey | HXWOYJXLUFWRRG-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3ghe58yW9zH |
|---|---|
| Name | Phenol, 2-propyl-, o-ethoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-3-7-10-8-5-6-9-11(10)15-12(13)14-4-2/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey | HXWOYJXLUFWRRG-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1(=CC=CC=C1OC(OCC)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889887 |