| SpectraBase Compound ID | yuDutlbuCV |
|---|---|
| InChI | InChI=1S/C14H13N3O/c1-9-7-10(2)17(16-9)14(18)13-8-11-5-3-4-6-12(11)15-13/h3-8,15H,1-2H3 |
| InChIKey | VQOXHMOXZGRNIW-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 | 9PIwWqDowwl |
|---|---|
| Name | (3,5-Dimethylpyrazol-1'-yl) (1H-indol-2''-yl) methanone |
| 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)13-8-11-5-3-4-6-12(11)15-13/h3-8,15H,1-2H3 |
| InChIKey | VQOXHMOXZGRNIW-UHFFFAOYSA-N |
| Molecular Weight | 239.278 g/mol |
| SMILES | C(N1N=C(C)C=C1C)(C=1NC=2C=CC=CC2C1)=O |