| SpectraBase Compound ID | 9EjH5LbKCRi |
|---|---|
| InChI | InChI=1S/C11H12/c1-3-4-5-11-8-6-10(2)7-9-11/h1,6-9H,4-5H2,2H3 |
| InChIKey | KRBJCKMNIJGEAN-UHFFFAOYSA-N |
| Mol Weight | 144.22 g/mol |
| Molecular Formula | C11H12 |
| Exact Mass | 144.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnrM7vAXUyf |
|---|---|
| Name | 1-but-3-Ynyl-4-methyl-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.093900386 u |
| Formula | C11H12 |
| InChI | InChI=1S/C11H12/c1-3-4-5-11-8-6-10(2)7-9-11/h1,6-9H,4-5H2,2H3 |
| InChIKey | KRBJCKMNIJGEAN-UHFFFAOYSA-N |
| Molecular Weight | 144.217 g/mol |
| SMILES | C(#C)CCC=1C=CC(=CC1)C |