| SpectraBase Compound ID | 3ZMEGAy2wpP |
|---|---|
| InChI | InChI=1S/C14H18/c1-3-4-5-6-7-8-14-11-9-13(2)10-12-14/h9-12H,3-6H2,1-2H3 |
| InChIKey | HWNRHQRQCAJUTA-UHFFFAOYSA-N |
| Mol Weight | 186.3 g/mol |
| Molecular Formula | C14H18 |
| Exact Mass | 186.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eB71AzdksR |
|---|---|
| Name | 1-(Hept-1-ynyl)-4-methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.140850580 u |
| Formula | C14H18 |
| InChI | InChI=1S/C14H18/c1-3-4-5-6-7-8-14-11-9-13(2)10-12-14/h9-12H,3-6H2,1-2H3 |
| InChIKey | HWNRHQRQCAJUTA-UHFFFAOYSA-N |
| Molecular Weight | 186.298 g/mol |
| SMILES | C=1C=C(C#CCCCCC)C=CC1C |