![1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-3,5-dimethyl-1H-pyrazole](/api/spectrum/F9gg0kqsoVy/structure.png?h=300&w=458 "1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-3,5-dimethyl-1H-pyrazole")
| SpectraBase Compound ID | 72sbkeWQjVy |
|---|---|
| InChI | InChI=1S/C17H19N3/c1-12-11-15(4)20(18-12)17-9-7-16(8-10-17)19-13(2)5-6-14(19)3/h5-11H,1-4H3 |
| InChIKey | NBKASKSZINFQQR-UHFFFAOYSA-N |
| Mol Weight | 265.36 g/mol |
| Molecular Formula | C17H19N3 |
| Exact Mass | 265.157898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9gg0kqsoVy |
|---|---|
| Name | 1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-3,5-dimethyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.157897624 u |
| Formula | C17H19N3 |
| InChI | InChI=1S/C17H19N3/c1-12-11-15(4)20(18-12)17-9-7-16(8-10-17)19-13(2)5-6-14(19)3/h5-11H,1-4H3 |
| InChIKey | NBKASKSZINFQQR-UHFFFAOYSA-N |
| Molecular Weight | 265.360 g/mol |
| SMILES | CC=1C=C(N(C2=CC=C(N3C(C)=CC=C3C)C=C2)N1)C |