| SpectraBase Compound ID | 16CLusyi6SX |
|---|---|
| InChI | InChI=1S/C15H11NO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H,16H2 |
| InChIKey | XHHRZTKNLFQIHL-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C15H11NO |
| Exact Mass | 221.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ftxasiS0Sg |
|---|---|
| Name | Propynone, 3-(2-aminophenyl)-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.084063977 u |
| Formula | C15H11NO |
| InChI | InChI=1S/C15H11NO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H,16H2 |
| InChIKey | XHHRZTKNLFQIHL-UHFFFAOYSA-N |
| Molecular Weight | 221.259 g/mol |
| SMILES | C(#CC1=C(N)C=CC=C1)C(=O)C=1C=CC=CC1 |