![N-(3,5-dimethoxybenzyl)-N-[2-(phenylthio)ethyl]formamide](/api/spectrum/Gj0AFyqCJ6Q/structure.png?h=300&w=458 "N-(3,5-dimethoxybenzyl)-N-[2-(phenylthio)ethyl]formamide")
| SpectraBase Compound ID | 2O8mwfdDWDt |
|---|---|
| InChI | InChI=1S/C18H21NO3S/c1-21-16-10-15(11-17(12-16)22-2)13-19(14-20)8-9-23-18-6-4-3-5-7-18/h3-7,10-12,14H,8-9,13H2,1-2H3 |
| InChIKey | MFYJSDNEEAITCQ-UHFFFAOYSA-N |
| Mol Weight | 331.43 g/mol |
| Molecular Formula | C18H21NO3S |
| Exact Mass | 331.124215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Gj0AFyqCJ6Q |
|---|---|
| Name | N-(3,5-Dimethoxybenzyl)-N-[2-(phenylthio)ethyl]formamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.124214711 u |
| Formula | C18H21NO3S |
| InChI | InChI=1S/C18H21NO3S/c1-21-16-10-15(11-17(12-16)22-2)13-19(14-20)8-9-23-18-6-4-3-5-7-18/h3-7,10-12,14H,8-9,13H2,1-2H3 |
| InChIKey | MFYJSDNEEAITCQ-UHFFFAOYSA-N |
| Molecular Weight | 331.430 g/mol |
| SMILES | C(=O)N(CCSC=1C=CC=CC1)CC=1C=C(C=C(C1)OC)OC |