| SpectraBase Compound ID | 3gQkd0ol0bT |
|---|---|
| InChI | InChI=1S/C12H14/c1-4-5-9-12-10(2)7-6-8-11(12)3/h1,6-8H,5,9H2,2-3H3 |
| InChIKey | LTAGOPOLSBGFQK-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HRr72aVsDsu |
|---|---|
| Name | 4-(2',6'-Dimethylphenyl)-but-1-yne |
| 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/c1-4-5-9-12-10(2)7-6-8-11(12)3/h1,6-8H,5,9H2,2-3H3 |
| InChIKey | LTAGOPOLSBGFQK-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C1(=CC=CC(=C1CCC#C)C)C |