| SpectraBase Compound ID | 53xxMuwiXt0 |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-9-6-7-11(13(3,4)5)12(8-9)15-10(2)14/h6-8H,1-5H3 |
| InChIKey | HVZDCJWCOKUYLW-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 | LMUdnZ7c4ME |
|---|---|
| Name | 2-Tert-butyl-5-methylphenol, 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/c1-9-6-7-11(13(3,4)5)12(8-9)15-10(2)14/h6-8H,1-5H3 |
| InChIKey | HVZDCJWCOKUYLW-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C)(C)(C)C1=C(OC(C)=O)C=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946027 |