| SpectraBase Compound ID | LAKeFcdgn6B |
|---|---|
| InChI | InChI=1S/C16H13NO2/c1-2-13-8-10-15(11-9-13)17-16(18)19-12-14-6-4-3-5-7-14/h1,3-11H,12H2,(H,17,18) |
| InChIKey | BRAWZMUZHXVUBN-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 | A4tHPt2Ynuz |
|---|---|
| Name | (Phenylmethyl) N-(4-ethynylphenyl)carbamate |
| 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/c1-2-13-8-10-15(11-9-13)17-16(18)19-12-14-6-4-3-5-7-14/h1,3-11H,12H2,(H,17,18) |
| InChIKey | BRAWZMUZHXVUBN-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C=1(NC(=O)OCC=2C=CC=CC2)C=CC(=CC1)C#C |