| SpectraBase Compound ID | 7NUJF20A6Zn |
|---|---|
| InChI | InChI=1S/C6H7N3O4/c1-2-13-6(10)4-5(9(11)12)8-3-7-4/h3H,2H2,1H3,(H,7,8) |
| InChIKey | JFHZQABGMJXACV-UHFFFAOYSA-N |
| Mol Weight | 185.14 g/mol |
| Molecular Formula | C6H7N3O4 |
| Exact Mass | 185.043656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 302jhy88BwP |
|---|---|
| Name | 4-Nitro-1H-imidazole-5-carboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.043655713 u |
| Formula | C6H7N3O4 |
| InChI | InChI=1S/C6H7N3O4/c1-2-13-6(10)4-5(9(11)12)8-3-7-4/h3H,2H2,1H3,(H,7,8) |
| InChIKey | JFHZQABGMJXACV-UHFFFAOYSA-N |
| Molecular Weight | 185.139 g/mol |
| SMILES | C1(=C(C(=O)OCC)NC=N1)N(=O)=O |