| SpectraBase Compound ID | 2F5H6bHRtm9 |
|---|---|
| InChI | InChI=1S/C15H16ClNO/c1-10-4-6-13(7-5-10)17-11(2)8-14(12(17)3)15(18)9-16/h4-8H,9H2,1-3H3 |
| InChIKey | BAEXXXPZKCRCQD-UHFFFAOYSA-N |
| Mol Weight | 261.75 g/mol |
| Molecular Formula | C15H16ClNO |
| Exact Mass | 261.092042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dK1rsjwHve |
|---|---|
| Name | 2-Chloro-1-(2,5-dimethyl-1-p-tolyl-1H-pyrrol-3-yl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.092041838 u |
| Formula | C15H16ClNO |
| InChI | InChI=1S/C15H16ClNO/c1-10-4-6-13(7-5-10)17-11(2)8-14(12(17)3)15(18)9-16/h4-8H,9H2,1-3H3 |
| InChIKey | BAEXXXPZKCRCQD-UHFFFAOYSA-N |
| Molecular Weight | 261.752 g/mol |
| SMILES | C(Cl)C(=O)C1=C(N(C(=C1)C)C1=CC=C(C=C1)C)C |