| SpectraBase Compound ID | DyFnw7Isr3H |
|---|---|
| InChI | InChI=1S/C16H13NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,13H2,(H,17,18) |
| InChIKey | NMRDPIJSXIONMY-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C16H13NO2 |
| Exact Mass | 251.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GI6HdVrgm5q |
|---|---|
| Name | N-Phenylcarbamic acid, 3-phenyl-2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.094628661 u |
| Formula | C16H13NO2 |
| InChI | InChI=1S/C16H13NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,13H2,(H,17,18) |
| InChIKey | NMRDPIJSXIONMY-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C1=CC(C#CCOC(NC2=CC=CC=C2)=O)=CC=C1 |