![N-[2-(1,3-benzothiazol-2-ylsulfonyl)ethyl]-2-methyl-2-propanamine](/api/spectrum/8OAbhTS5h1h/structure.png?h=300&w=458 "N-[2-(1,3-benzothiazol-2-ylsulfonyl)ethyl]-2-methyl-2-propanamine")
| SpectraBase Compound ID | LMTO3Ij77P7 |
|---|---|
| InChI | InChI=1S/C13H18N2O2S2/c1-13(2,3)14-8-9-19(16,17)12-15-10-6-4-5-7-11(10)18-12/h4-7,14H,8-9H2,1-3H3 |
| InChIKey | TXYBAVXHKNUCOI-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C13H18N2O2S2 |
| Exact Mass | 298.08097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OAbhTS5h1h |
|---|---|
| Name | N-[2-(1,3-Benzothiazol-2-ylsulfonyl)ethyl]-2-methyl-2-propanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.080970174 u |
| Formula | C13H18N2O2S2 |
| InChI | InChI=1S/C13H18N2O2S2/c1-13(2,3)14-8-9-19(16,17)12-15-10-6-4-5-7-11(10)18-12/h4-7,14H,8-9H2,1-3H3 |
| InChIKey | TXYBAVXHKNUCOI-UHFFFAOYSA-N |
| SMILES | N(C(C)(C)C)CCS(C1=NC=2C=CC=CC2S1)(=O)=O |