| SpectraBase Compound ID | LBjTewp2mlR |
|---|---|
| InChI | InChI=1S/C12H11N/c1-3-8-13-9-10(2)11-6-4-5-7-12(11)13/h1,4-7,9H,8H2,2H3 |
| InChIKey | ZICFXYLAQBSQFN-UHFFFAOYSA-N |
| Mol Weight | 169.23 g/mol |
| Molecular Formula | C12H11N |
| Exact Mass | 169.089149 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 | H7eSYYjnaoO |
|---|---|
| Name | 3-Methyl-1-(2-propynyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.089149358 u |
| Formula | C12H11N |
| InChI | InChI=1S/C12H11N/c1-3-8-13-9-10(2)11-6-4-5-7-12(11)13/h1,4-7,9H,8H2,2H3 |
| InChIKey | ZICFXYLAQBSQFN-UHFFFAOYSA-N |
| Molecular Weight | 169.227 g/mol |
| SMILES | C=1N(C=2C(C1C)=CC=CC2)CC#C |