| SpectraBase Compound ID | J9v7D6npEyL |
|---|---|
| InChI | InChI=1S/C10H10ClN3O3/c1-2-5-12-10(15)13-9-4-3-7(14(16)17)6-8(9)11/h2-4,6H,1,5H2,(H2,12,13,15) |
| InChIKey | VAENRUUFBJDVQX-UHFFFAOYSA-N |
| Mol Weight | 255.66 g/mol |
| Molecular Formula | C10H10ClN3O3 |
| Exact Mass | 255.041069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | txHIUvEDaY |
|---|---|
| Name | 1-Allyl-3-(2-chloro-4-nitrophenyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.041068891 u |
| Formula | C10H10ClN3O3 |
| InChI | InChI=1S/C10H10ClN3O3/c1-2-5-12-10(15)13-9-4-3-7(14(16)17)6-8(9)11/h2-4,6H,1,5H2,(H2,12,13,15) |
| InChIKey | VAENRUUFBJDVQX-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=C(C(=CC1)NC(NCC=C)=O)Cl |