| SpectraBase Compound ID | 5OMRzdScAx9 |
|---|---|
| InChI | InChI=1S/C15H13N3OS/c16-8-12-11-5-1-2-6-13(11)20-15(12)18-14(19)10-4-3-7-17-9-10/h3-4,7,9H,1-2,5-6H2,(H,18,19) |
| InChIKey | QCIBKVBNSUGOKU-UHFFFAOYSA-N |
| Mol Weight | 283.35 g/mol |
| Molecular Formula | C15H13N3OS |
| Exact Mass | 283.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8t5GNz56dRK |
|---|---|
| Name | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)nicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.077933224 u |
| Formula | C15H13N3OS |
| InChI | InChI=1S/C15H13N3OS/c16-8-12-11-5-1-2-6-13(11)20-15(12)18-14(19)10-4-3-7-17-9-10/h3-4,7,9H,1-2,5-6H2,(H,18,19) |
| InChIKey | QCIBKVBNSUGOKU-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=2CCCCC2S1)C#N)C(C=1C=NC=CC1)=O |