| SpectraBase Compound ID | 2Zf55vtL6G8 |
|---|---|
| InChI | InChI=1S/C13H14O/c1-13(2,3)9-8-11-6-4-5-7-12(11)10-14/h4-7,10H,1-3H3 |
| InChIKey | XRLALNZBNYDJKM-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dsv24ddHMUB |
|---|---|
| Name | 2-(3,3-Dimethylbut-1-ynyl)benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.104465070 u |
| Formula | C13H14O |
| InChI | InChI=1S/C13H14O/c1-13(2,3)9-8-11-6-4-5-7-12(11)10-14/h4-7,10H,1-3H3 |
| InChIKey | XRLALNZBNYDJKM-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C(#CC(C)(C)C)C=1C(C=O)=CC=CC1 |