| SpectraBase Compound ID | 4bOt5rMzdKk |
|---|---|
| InChI | InChI=1S/C12H14/c1-4-10-12(2,3)11-8-6-5-7-9-11/h5-9H,1-3H3 |
| InChIKey | QZCFTLVCIPDJRK-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPms5BZaVY2 |
|---|---|
| Name | Benzene, (1,1-dimethyl-2-butynyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-4-10-12(2,3)11-8-6-5-7-9-11/h5-9H,1-3H3 |
| InChIKey | QZCFTLVCIPDJRK-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C1=CC(C(C)(C#CC)C)=CC=C1 |