| SpectraBase Compound ID | 8tZT5ZbktIZ |
|---|---|
| InChI | InChI=1S/C16H13IN2OS/c1-10-7-8-13-14(9-10)21-16(18-13)19(2)15(20)11-5-3-4-6-12(11)17/h3-9H,1-2H3 |
| InChIKey | MSYRACWWBMKAQN-UHFFFAOYSA-N |
| Mol Weight | 408.26 g/mol |
| Molecular Formula | C16H13IN2OS |
| Exact Mass | 407.979329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ga0PnBQw9BV |
|---|---|
| Name | 2-Iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide, N-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.979329220 u |
| Formula | C16H13IN2OS |
| InChI | InChI=1S/C16H13IN2OS/c1-10-7-8-13-14(9-10)21-16(18-13)19(2)15(20)11-5-3-4-6-12(11)17/h3-9H,1-2H3 |
| InChIKey | MSYRACWWBMKAQN-UHFFFAOYSA-N |
| Molecular Weight | 408.257 g/mol |
| SMILES | C(C1=C(C=CC=C1)I)(=O)N(C=1SC2=CC(=CC=C2N1)C)C |