| SpectraBase Compound ID | 14U0ak3FE0N |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | QWAPRPBICJAUPX-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8LBdJxaa2cl |
|---|---|
| Name | 3-Tert-butylphenol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | QWAPRPBICJAUPX-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1=C(C=CC=C1OC(C)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817249 |