| SpectraBase Compound ID | 1ZEGHSH7Bcy |
|---|---|
| InChI | InChI=1S/C13H8O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11,14H,12H2 |
| InChIKey | OBLAWABLSMUERW-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C13H8O |
| Exact Mass | 180.057515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CADGzZhno0M |
|---|---|
| Name | 7-Phenyl-1-hepta-2,4,6-triynol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.057514877 u |
| Formula | C13H8O |
| InChI | InChI=1S/C13H8O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11,14H,12H2 |
| InChIKey | OBLAWABLSMUERW-UHFFFAOYSA-N |
| Molecular Weight | 180.206 g/mol |
| SMILES | C(C#CC#CC#CC=1C=CC=CC1)O |