| SpectraBase Compound ID | K45phhxd9e9 |
|---|---|
| InChI | InChI=1S/C13H18N2OS2/c1-9(2)14-7-10(16)8-17-13-15-11-5-3-4-6-12(11)18-13/h3-6,9-10,14,16H,7-8H2,1-2H3 |
| InChIKey | MOAGFJXBKXWBRR-UHFFFAOYSA-N |
| Mol Weight | 282.42 g/mol |
| Molecular Formula | C13H18N2OS2 |
| Exact Mass | 282.086056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KyxOSJ2zjLs |
|---|---|
| Name | 1-(Benzothiazol-2-ylsulfanyl)-N-isopropylaminopropan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.086055555 u |
| Formula | C13H18N2OS2 |
| InChI | InChI=1S/C13H18N2OS2/c1-9(2)14-7-10(16)8-17-13-15-11-5-3-4-6-12(11)18-13/h3-6,9-10,14,16H,7-8H2,1-2H3 |
| InChIKey | MOAGFJXBKXWBRR-UHFFFAOYSA-N |
| SMILES | C1(=NC2=CC=CC=C2S1)SCC(CNC(C)C)O |