| SpectraBase Compound ID | 3M5uG5hSfbH |
|---|---|
| InChI | InChI=1S/C14H13N3O/c1-9-7-10(2)17(16-9)14(18)12-8-15-13-6-4-3-5-11(12)13/h3-8,15H,1-2H3 |
| InChIKey | NSPCVSCWWKAKLQ-UHFFFAOYSA-N |
| Mol Weight | 239.28 g/mol |
| Molecular Formula | C14H13N3O |
| Exact Mass | 239.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97L3995KURM |
|---|---|
| Name | Methanone, 1-(indol-3-yl)-1-(3,5-dimethylpyrazol-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.105862050 u |
| Formula | C14H13N3O |
| InChI | InChI=1S/C14H13N3O/c1-9-7-10(2)17(16-9)14(18)12-8-15-13-6-4-3-5-11(12)13/h3-8,15H,1-2H3 |
| InChIKey | NSPCVSCWWKAKLQ-UHFFFAOYSA-N |
| Molecular Weight | 239.278 g/mol |
| SMILES | C1(C(N2C(=CC(=N2)C)C)=O)=CNC=2C1=CC=CC2 |