| SpectraBase Compound ID | LMlWa4klG79 |
|---|---|
| InChI | InChI=1S/C16H23N3O3/c1-18-5-7-19(8-6-18)13(11-17)12-9-14(20-2)16(22-4)15(10-12)21-3/h9-10,13H,5-8H2,1-4H3 |
| InChIKey | RDIHAYWZQUDRSC-UHFFFAOYSA-N |
| Mol Weight | 305.38 g/mol |
| Molecular Formula | C16H23N3O3 |
| Exact Mass | 305.173942 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 | FcZjDxgjVCF |
|---|---|
| Name | 2-(3,4,5-Trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.173941610 u |
| Formula | C16H23N3O3 |
| InChI | InChI=1S/C16H23N3O3/c1-18-5-7-19(8-6-18)13(11-17)12-9-14(20-2)16(22-4)15(10-12)21-3/h9-10,13H,5-8H2,1-4H3 |
| InChIKey | RDIHAYWZQUDRSC-UHFFFAOYSA-N |
| Molecular Weight | 305.378 g/mol |
| SMILES | C1(C(N2CCN(CC2)C)C#N)=CC(OC)=C(C(=C1)OC)OC |