![1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]indoline](/api/spectrum/JlNmvzQdADR/structure.png?h=300&w=458 "1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]indoline")
| SpectraBase Compound ID | 9UyWJCjAfSi |
|---|---|
| InChI | InChI=1S/C13H13N3O/c1-15-9-11(8-14-15)13(17)16-7-6-10-4-2-3-5-12(10)16/h2-5,8-9H,6-7H2,1H3 |
| InChIKey | PQLLCYOGQUSCOU-UHFFFAOYSA-N |
| Mol Weight | 227.27 g/mol |
| Molecular Formula | C13H13N3O |
| Exact Mass | 227.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JlNmvzQdADR |
|---|---|
| Name | 1-[(1-Methyl-1H-pyrazol-4-yl)carbonyl]indoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.105862050 u |
| Formula | C13H13N3O |
| InChI | InChI=1S/C13H13N3O/c1-15-9-11(8-14-15)13(17)16-7-6-10-4-2-3-5-12(10)16/h2-5,8-9H,6-7H2,1H3 |
| InChIKey | PQLLCYOGQUSCOU-UHFFFAOYSA-N |
| Molecular Weight | 227.267 g/mol |
| SMILES | CN1C=C(C(=O)N2C3=C(C=CC=C3)CC2)C=N1 |