| SpectraBase Compound ID | 7tsZNZMJsFR |
|---|---|
| InChI | InChI=1S/C12H11NO/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13/h2-9H,1H3 |
| InChIKey | FNAGOXAAORKVQM-UHFFFAOYSA-N |
| Mol Weight | 185.23 g/mol |
| Molecular Formula | C12H11NO |
| Exact Mass | 185.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39HapLTCcMf |
|---|---|
| Name | (3-Methylphenyl)-(1-pyrrolyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.084063977 u |
| Formula | C12H11NO |
| InChI | InChI=1S/C12H11NO/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13/h2-9H,1H3 |
| InChIKey | FNAGOXAAORKVQM-UHFFFAOYSA-N |
| Molecular Weight | 185.226 g/mol |
| SMILES | C(N1C=CC=C1)(C=1C=C(C)C=CC1)=O |