| SpectraBase Compound ID | CEsGDMvDydq |
|---|---|
| InChI | InChI=1S/C16H14/c1-14-8-5-6-12-16(14)13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,11H2,1H3 |
| InChIKey | LCFVNOPFCICOIS-UHFFFAOYSA-N |
| Mol Weight | 206.29 g/mol |
| Molecular Formula | C16H14 |
| Exact Mass | 206.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2Q8FOaqhi7 |
|---|---|
| Name | 1-Methyl-2-(3-phenylprop-1-ynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.109550451 u |
| Formula | C16H14 |
| InChI | InChI=1S/C16H14/c1-14-8-5-6-12-16(14)13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,11H2,1H3 |
| InChIKey | LCFVNOPFCICOIS-UHFFFAOYSA-N |
| Molecular Weight | 206.288 g/mol |
| SMILES | C(C1=CC=CC=C1)C#CC=1C=CC=CC1C |