| SpectraBase Compound ID | 3qATS0nSHtv |
|---|---|
| InChI | InChI=1S/C17H16O2/c1-14-7-9-15(10-8-14)11-12-17(19,13-18)16-5-3-2-4-6-16/h2-10,18-19H,13H2,1H3 |
| InChIKey | BWODNQNGHXNHAA-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C17H16O2 |
| Exact Mass | 252.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnL2VCFWHrL |
|---|---|
| Name | 2-Methyl-4-p-tolylbut-3-yne-1,2-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.115029753 u |
| Formula | C17H16O2 |
| InChI | InChI=1S/C17H16O2/c1-14-7-9-15(10-8-14)11-12-17(19,13-18)16-5-3-2-4-6-16/h2-10,18-19H,13H2,1H3 |
| InChIKey | BWODNQNGHXNHAA-UHFFFAOYSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | C(C#CC=1C=CC(=CC1)C)(O)(C1=CC=CC=C1)CO |