| SpectraBase Compound ID | 9S60FQI1Bev |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9-5-7-10(8-6-9)14-11(13)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | FQUYWADLJYCJJO-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 | 4iMOdfY51W2 |
|---|---|
| Name | p-Tolyl pivalate |
| 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/c1-9-5-7-10(8-6-9)14-11(13)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | FQUYWADLJYCJJO-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C)(C(OC1=CC=C(C=C1)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905061 |