| SpectraBase Compound ID | BY0YUg9SgyD |
|---|---|
| InChI | InChI=1S/C15H17NO/c1-10-5-6-15(11(2)7-10)16-12(3)8-14(9-17)13(16)4/h5-9H,1-4H3 |
| InChIKey | CPJASJOAHPXUCS-UHFFFAOYSA-N |
| Mol Weight | 227.31 g/mol |
| Molecular Formula | C15H17NO |
| Exact Mass | 227.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KNP28dEUyd |
|---|---|
| Name | 1-(2,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.131014170 u |
| Formula | C15H17NO |
| InChI | InChI=1S/C15H17NO/c1-10-5-6-15(11(2)7-10)16-12(3)8-14(9-17)13(16)4/h5-9H,1-4H3 |
| InChIKey | CPJASJOAHPXUCS-UHFFFAOYSA-N |
| Molecular Weight | 227.307 g/mol |
| SMILES | CC1=CC=C(N2C(=CC(=C2C)C=O)C)C(=C1)C |