| SpectraBase Compound ID | 4B1crJMSr8a |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-10-7-8-13(12(10)14)9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3 |
| InChIKey | LKZFHFOUNWLKJL-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18vm3nDsZkB |
|---|---|
| Name | 1,5-Dihydro-3-methyl-1-(phenylmethyl)-2(H)-pyrrolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.099714042 u |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-10-7-8-13(12(10)14)9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3 |
| InChIKey | LKZFHFOUNWLKJL-UHFFFAOYSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | C1(N(CC=C1C)CC=1C=CC=CC1)=O |