| SpectraBase Compound ID | JBzbY7vPShv |
|---|---|
| InChI | InChI=1S/C13H18N2O4S/c1-2-11-7-5-6-10-14(11)20(18,19)13-9-4-3-8-12(13)15(16)17/h3-4,8-9,11H,2,5-7,10H2,1H3 |
| InChIKey | FTPHIBITRUCWJT-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C13H18N2O4S |
| Exact Mass | 298.098728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4maBvOHDjbB |
|---|---|
| Name | Benzamide, 2,5-dichloro-N-(4-methylbenzyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.098728238 u |
| Formula | C13H18N2O4S |
| InChI | InChI=1S/C13H18N2O4S/c1-2-11-7-5-6-10-14(11)20(18,19)13-9-4-3-8-12(13)15(16)17/h3-4,8-9,11H,2,5-7,10H2,1H3 |
| InChIKey | FTPHIBITRUCWJT-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)N(=O)=O)S(N1CCCCC1CC)(=O)=O |