| SpectraBase Compound ID | JUrCzPbaDC0 |
|---|---|
| InChI | InChI=1S/C16H13N5O5/c1-26-12-5-2-10(3-6-12)13-9-18-19(16(13)17)14-7-4-11(20(22)23)8-15(14)21(24)25/h2-9H,17H2,1H3 |
| InChIKey | WKUCXENZDGYYOM-UHFFFAOYSA-N |
| Mol Weight | 355.31 g/mol |
| Molecular Formula | C16H13N5O5 |
| Exact Mass | 355.091669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NErsG9bXEn |
|---|---|
| Name | 5-Amino-1-(2,4-dinitrophenyl)-4-(p-methoxyphenyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.091668534 u |
| Formula | C16H13N5O5 |
| InChI | InChI=1S/C16H13N5O5/c1-26-12-5-2-10(3-6-12)13-9-18-19(16(13)17)14-7-4-11(20(22)23)8-15(14)21(24)25/h2-9H,17H2,1H3 |
| InChIKey | WKUCXENZDGYYOM-UHFFFAOYSA-N |
| SMILES | NC=1N(C=2C=CC(=CC2N(=O)=O)N(=O)=O)N=CC1C=1C=CC(=CC1)OC |