| SpectraBase Compound ID | GqNWTJYUhbV |
|---|---|
| InChI | InChI=1S/C13H10ClN3O4S/c14-10-4-2-1-3-8(10)6-15-13(19)16-12(18)9-5-11(17(20)21)22-7-9/h1-5,7H,6H2,(H2,15,16,18,19) |
| InChIKey | YTNWPZIUUFQCHV-UHFFFAOYSA-N |
| Mol Weight | 339.75 g/mol |
| Molecular Formula | C13H10ClN3O4S |
| Exact Mass | 339.008055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GXJD2CVeEGn |
|---|---|
| Name | 1-(o-Chlorobenzyl)-3-(5-nitro-3-thenoyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.008054684 u |
| Formula | C13H10ClN3O4S |
| InChI | InChI=1S/C13H10ClN3O4S/c14-10-4-2-1-3-8(10)6-15-13(19)16-12(18)9-5-11(17(20)21)22-7-9/h1-5,7H,6H2,(H2,15,16,18,19) |
| InChIKey | YTNWPZIUUFQCHV-UHFFFAOYSA-N |
| Molecular Weight | 339.753 g/mol |
| SMILES | N(CC=1C(=CC=CC1)Cl)C(NC(C=1C=C(SC1)N(=O)=O)=O)=O |