| SpectraBase Compound ID | 3grM8B3mUqG |
|---|---|
| InChI | InChI=1S/C15H22O/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h7-10H,1-6H3 |
| InChIKey | ZISXBXYWRHTLEN-UHFFFAOYSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CTGHpYx9f9G |
|---|---|
| Name | p-Tert-butylpivalophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h7-10H,1-6H3 |
| InChIKey | ZISXBXYWRHTLEN-UHFFFAOYSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C1=CC(=CC=C1C(C)(C)C)C(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93245 |