| SpectraBase Compound ID | LDX9TdFk8oc |
|---|---|
| InChI | InChI=1S/C12H11NO/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11/h1,3-9H,10H2,(H,13,14)/b7-3+ |
| InChIKey | YJAKTLTWUWYULK-XVNBXDOJSA-N |
| Mol Weight | 185.23 g/mol |
| Molecular Formula | C12H11NO |
| Exact Mass | 185.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtDSFn3tC2R |
|---|---|
| Name | Trans-N-(2-penten-4-ynyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.084063977 u |
| Formula | C12H11NO |
| InChI | InChI=1S/C12H11NO/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11/h1,3-9H,10H2,(H,13,14)/b7-3+ |
| InChIKey | YJAKTLTWUWYULK-XVNBXDOJSA-N |
| Molecular Weight | 185.226 g/mol |
| SMILES | C1=C(C=CC=C1)C(=O)NC\C=C\C#C |