![N-Benzyl-4-methoxy-N-[2-(thiophen-2-yl)ethyl]aniline](/api/spectrum/Hso4MWvcOZo/structure.png?h=300&w=458 "N-Benzyl-4-methoxy-N-[2-(thiophen-2-yl)ethyl]aniline")
| SpectraBase Compound ID | HadlJrsvV2i |
|---|---|
| InChI | InChI=1S/C20H21NOS/c1-22-19-11-9-18(10-12-19)21(14-13-20-8-5-15-23-20)16-17-6-3-2-4-7-17/h2-12,15H,13-14,16H2,1H3 |
| InChIKey | OHFLUXIPILRZRQ-UHFFFAOYSA-N |
| Mol Weight | 323.45 g/mol |
| Molecular Formula | C20H21NOS |
| Exact Mass | 323.134385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hso4MWvcOZo |
|---|---|
| Name | N-Benzyl-4-methoxy-N-[2-(thiophen-2-yl)ethyl]aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.134385473 u |
| Formula | C20H21NOS |
| InChI | InChI=1S/C20H21NOS/c1-22-19-11-9-18(10-12-19)21(14-13-20-8-5-15-23-20)16-17-6-3-2-4-7-17/h2-12,15H,13-14,16H2,1H3 |
| InChIKey | OHFLUXIPILRZRQ-UHFFFAOYSA-N |
| Molecular Weight | 323.454 g/mol |
| SMILES | C=1(N(CC2=CC=CC=C2)CCC=2SC=CC2)C=CC(=CC1)OC |