| SpectraBase Compound ID | DcqNKC7UXH0 |
|---|---|
| InChI | InChI=1S/C12H14O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h1,4-8,13H,9-10H2,2H3 |
| InChIKey | WNPHXLHWIRDVPK-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LplJOjANEU9 |
|---|---|
| Name | Benzenepropanol, alpha-ethynyl-alpha-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h1,4-8,13H,9-10H2,2H3 |
| InChIKey | WNPHXLHWIRDVPK-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | OC(CCC1=CC=CC=C1)(C)C#C |