![N-[3-(4-Chloro-2-nitro-phenylamino)-propyl]-methanesulfonamide](/api/spectrum/79SOvvGv1Aw/structure.png?h=300&w=458 "N-[3-(4-Chloro-2-nitro-phenylamino)-propyl]-methanesulfonamide")
| SpectraBase Compound ID | IIhQFZRgojT |
|---|---|
| InChI | InChI=1S/C10H14ClN3O4S/c1-19(17,18)13-6-2-5-12-9-4-3-8(11)7-10(9)14(15)16/h3-4,7,12-13H,2,5-6H2,1H3 |
| InChIKey | BBAGHXUQVHCXRS-UHFFFAOYSA-N |
| Mol Weight | 307.75 g/mol |
| Molecular Formula | C10H14ClN3O4S |
| Exact Mass | 307.039355 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79SOvvGv1Aw |
|---|---|
| Name | N-[3-(4-Chloro-2-nitro-phenylamino)-propyl]-methanesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.039354813 u |
| Formula | C10H14ClN3O4S |
| InChI | InChI=1S/C10H14ClN3O4S/c1-19(17,18)13-6-2-5-12-9-4-3-8(11)7-10(9)14(15)16/h3-4,7,12-13H,2,5-6H2,1H3 |
| InChIKey | BBAGHXUQVHCXRS-UHFFFAOYSA-N |
| Molecular Weight | 307.752 g/mol |
| SMILES | C(CCNS(C)(=O)=O)NC=1C(N(=O)=O)=CC(=CC1)Cl |