| SpectraBase Compound ID | 4957yrGDYKg |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-5-13(3,4)11-6-8-12(9-7-11)15-10(2)14/h6-9H,5H2,1-4H3 |
| InChIKey | SLRPYKPCRFYYCV-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8vBSp9gc5zT |
|---|---|
| Name | 4-(1,1-Dimethylpropyl)phenyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-5-13(3,4)11-6-8-12(9-7-11)15-10(2)14/h6-9H,5H2,1-4H3 |
| InChIKey | SLRPYKPCRFYYCV-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1=C(C=CC(=C1)C(C)(C)CC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96292 |