| SpectraBase Compound ID | FbFjfY3v3Cq |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-10-6-11(2)8-12(7-10)9-16-13(15)14(3,4)5/h6-8H,9H2,1-5H3 |
| InChIKey | YEDBZZNIBALAJC-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K9sslQ1ZEaR |
|---|---|
| Name | 3,5-Dimethylbenzyl pivalate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-10-6-11(2)8-12(7-10)9-16-13(15)14(3,4)5/h6-8H,9H2,1-5H3 |
| InChIKey | YEDBZZNIBALAJC-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(C(C)(C)C)(OCC1=CC(C)=CC(=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894053 |