| SpectraBase Compound ID | 4JIcJxcrgdO |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-10-6-2-3-7-11(10)12(14)13-8-4-5-9-13/h2-3,6-7H,4-5,8-9H2,1H3 |
| InChIKey | BYKLMXBCNKNGLB-UHFFFAOYSA-N |
| Mol Weight | 189.26 g/mol |
| Molecular Formula | C12H15NO |
| Exact Mass | 189.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1k6NOqlZGXc |
|---|---|
| Name | 2-Methylbenzoylpyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.115364106 u |
| Formula | C12H15NO |
| InChI | InChI=1S/C12H15NO/c1-10-6-2-3-7-11(10)12(14)13-8-4-5-9-13/h2-3,6-7H,4-5,8-9H2,1H3 |
| InChIKey | BYKLMXBCNKNGLB-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | C=1(C(N2CCCC2)=O)C(=CC=CC1)C |