| SpectraBase Compound ID | 573Rm308wP4 |
|---|---|
| InChI | InChI=1S/C9H9ClN2O4/c1-2-16-9(13)11-8-5-6(12(14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,13) |
| InChIKey | LTXOWMPFTGLIHE-UHFFFAOYSA-N |
| Mol Weight | 244.63 g/mol |
| Molecular Formula | C9H9ClN2O4 |
| Exact Mass | 244.025084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KL1N24dRbo4 |
|---|---|
| Name | Carbamic acid, (2-chloro-5-nitrophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.025084474 u |
| Formula | C9H9ClN2O4 |
| InChI | InChI=1S/C9H9ClN2O4/c1-2-16-9(13)11-8-5-6(12(14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,13) |
| InChIKey | LTXOWMPFTGLIHE-UHFFFAOYSA-N |
| Molecular Weight | 244.634 g/mol |
| SMILES | C1(=CC(N(=O)=O)=CC=C1Cl)NC(=O)OCC |