| SpectraBase Compound ID | 3jQc1tM5lLV |
|---|---|
| InChI | InChI=1S/C13H9NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h1,3-8H,9H2/b6-3+ |
| InChIKey | MXMVYUHSNVECOL-ZZXKWVIFSA-N |
| Mol Weight | 211.22 g/mol |
| Molecular Formula | C13H9NO2 |
| Exact Mass | 211.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TEXt8d9Xd3 |
|---|---|
| Name | Trans-N-(2-penten-4-ynyl)phthalimide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.063328532 u |
| Formula | C13H9NO2 |
| InChI | InChI=1S/C13H9NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h1,3-8H,9H2/b6-3+ |
| InChIKey | MXMVYUHSNVECOL-ZZXKWVIFSA-N |
| Molecular Weight | 211.220 g/mol |
| SMILES | C12=C(C=CC=C2)C(=O)N(C1=O)C\C=C\C#C |