![(2,5-Dimethoxybenzyl)-[2-(phenylthio)ethyl]amine](/api/spectrum/1Uigbs6v4MZ/structure.png?h=300&w=458 "(2,5-Dimethoxybenzyl)-[2-(phenylthio)ethyl]amine")
| SpectraBase Compound ID | 2nAw4Bkl7Y5 |
|---|---|
| InChI | InChI=1S/C17H21NO2S/c1-19-15-8-9-17(20-2)14(12-15)13-18-10-11-21-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3 |
| InChIKey | JMWXQFJATPMDNC-UHFFFAOYSA-N |
| Mol Weight | 303.42 g/mol |
| Molecular Formula | C17H21NO2S |
| Exact Mass | 303.1293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Uigbs6v4MZ |
|---|---|
| Name | (2,5-Dimethoxybenzyl)-[2-(phenylthio)ethyl]amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.129300092 u |
| Formula | C17H21NO2S |
| InChI | InChI=1S/C17H21NO2S/c1-19-15-8-9-17(20-2)14(12-15)13-18-10-11-21-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3 |
| InChIKey | JMWXQFJATPMDNC-UHFFFAOYSA-N |
| SMILES | C(NCC=1C(=CC=C(C1)OC)OC)CSC=1C=CC=CC1 |