![N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide](/api/spectrum/GCKVIaXT4ml/structure.png?h=300&w=458 "N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide")
| SpectraBase Compound ID | D38dISjMFCm |
|---|---|
| InChI | InChI=1S/C13H13N3O3S/c1-16-5-4-14-13(16)20-7-12(17)15-9-2-3-10-11(6-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,15,17) |
| InChIKey | STSKLFSXXFQNLC-UHFFFAOYSA-N |
| Mol Weight | 291.32 g/mol |
| Molecular Formula | C13H13N3O3S |
| Exact Mass | 291.067762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCKVIaXT4ml |
|---|---|
| Name | N-(1,3-Benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.067762462 u |
| Formula | C13H13N3O3S |
| InChI | InChI=1S/C13H13N3O3S/c1-16-5-4-14-13(16)20-7-12(17)15-9-2-3-10-11(6-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,15,17) |
| InChIKey | STSKLFSXXFQNLC-UHFFFAOYSA-N |
| SMILES | N(C(CSC=1N(C=CN1)C)=O)C1=CC=2OCOC2C=C1 |