| SpectraBase Compound ID | DWOUICbMzqS |
|---|---|
| InChI | InChI=1S/C11H10/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7H,1H2,2H3 |
| InChIKey | RYPDJVWTVQJWOO-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C11H10 |
| Exact Mass | 142.07825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DPxyeTmAmb |
|---|---|
| Name | 3-Methylbut-3-en-1-ynylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.078250322 u |
| Formula | C11H10 |
| InChI | InChI=1S/C11H10/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7H,1H2,2H3 |
| InChIKey | RYPDJVWTVQJWOO-UHFFFAOYSA-N |
| Molecular Weight | 142.201 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C(=C)C |