| SpectraBase Compound ID | HUSVtYM1Xwt |
|---|---|
| InChI | InChI=1S/C13H18Cl2N2O/c1-2-3-4-5-8-16-13(18)17-10-6-7-11(14)12(15)9-10/h6-7,9H,2-5,8H2,1H3,(H2,16,17,18) |
| InChIKey | XTRZVEIMQUXRBC-UHFFFAOYSA-N |
| Mol Weight | 289.21 g/mol |
| Molecular Formula | C13H18Cl2N2O |
| Exact Mass | 288.079619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDXNGIP2S4c |
|---|---|
| Name | 1-(3,4-Dichlorophenyl)-3-hexylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.079618607 u |
| Formula | C13H18Cl2N2O |
| InChI | InChI=1S/C13H18Cl2N2O/c1-2-3-4-5-8-16-13(18)17-10-6-7-11(14)12(15)9-10/h6-7,9H,2-5,8H2,1H3,(H2,16,17,18) |
| InChIKey | XTRZVEIMQUXRBC-UHFFFAOYSA-N |
| Molecular Weight | 289.206 g/mol |
| SMILES | N(C1=CC(=C(C=C1)Cl)Cl)C(=O)NCCCCCC |