| SpectraBase Compound ID | 41XdSjkT5Zn |
|---|---|
| InChI | InChI=1S/C17H16O2/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16,18H,11,14H2 |
| InChIKey | WAPHUABPWWRIJA-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 | FaWv51BTrZM |
|---|---|
| Name | 1-Phenoxy-5-phenylpent-4-yn-2-ol |
| 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/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16,18H,11,14H2 |
| InChIKey | WAPHUABPWWRIJA-UHFFFAOYSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | C(C(CC#CC=1C=CC=CC1)O)OC=1C=CC=CC1 |