| SpectraBase Compound ID | IEhZFQHGith |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-13(2,3)12-8-10(14)9-6-4-5-7-11(9)15-12/h4-8H,1-3H3 |
| InChIKey | PCXZUUWQDATSLS-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XyTDlrfpuE |
|---|---|
| Name | 2-Tert-butyl-1-benzopyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-13(2,3)12-8-10(14)9-6-4-5-7-11(9)15-12/h4-8H,1-3H3 |
| InChIKey | PCXZUUWQDATSLS-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C1(=CC(=O)C=2C(O1)=CC=CC2)C(C)(C)C |