| SpectraBase Compound ID | 5wMPFqH3dVx |
|---|---|
| InChI | InChI=1S/C9H11N3O4/c1-6(2)16-9(13)11-7-3-4-10-5-8(7)12(14)15/h3-6H,1-2H3,(H,10,11,13) |
| InChIKey | ZEVWRSXZCHEIFX-UHFFFAOYSA-N |
| Mol Weight | 225.2 g/mol |
| Molecular Formula | C9H11N3O4 |
| Exact Mass | 225.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7rBWhRR3fos |
|---|---|
| Name | Isopropyl N-(3-nitro-4-pyridyl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.074955842 u |
| Formula | C9H11N3O4 |
| InChI | InChI=1S/C9H11N3O4/c1-6(2)16-9(13)11-7-3-4-10-5-8(7)12(14)15/h3-6H,1-2H3,(H,10,11,13) |
| InChIKey | ZEVWRSXZCHEIFX-UHFFFAOYSA-N |
| Molecular Weight | 225.204 g/mol |
| SMILES | C1(N(=O)=O)=C(NC(=O)OC(C)C)C=CN=C1 |