| SpectraBase Compound ID | k9Fi8J1dWT |
|---|---|
| InChI | InChI=1S/C15H13N3O/c16-8-10(15(19)18-12-5-6-12)7-11-9-17-14-4-2-1-3-13(11)14/h1-4,7,9,12,17H,5-6H2,(H,18,19)/b10-7+ |
| InChIKey | CBSORKRACOTIJW-JXMROGBWSA-N |
| Mol Weight | 251.29 g/mol |
| Molecular Formula | C15H13N3O |
| Exact Mass | 251.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGgZqkIQvHz |
|---|---|
| Name | (2E)-2-Cyano-N-cyclopropyl-3-(1H-indol-3-yl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.105862050 u |
| Formula | C15H13N3O |
| InChI | InChI=1S/C15H13N3O/c16-8-10(15(19)18-12-5-6-12)7-11-9-17-14-4-2-1-3-13(11)14/h1-4,7,9,12,17H,5-6H2,(H,18,19)/b10-7+ |
| InChIKey | CBSORKRACOTIJW-JXMROGBWSA-N |
| SMILES | N1C=2C(C(\C=C\(C(NC3CC3)=O)C#N)=C1)=CC=CC2 |