| SpectraBase Compound ID | KuggT61pqp9 |
|---|---|
| InChI | InChI=1S/C16H25N3OS/c1-20-15-7-3-2-6-14(15)19-12-10-18(11-13-19)9-5-4-8-16(17)21/h2-3,6-7H,4-5,8-13H2,1H3,(H2,17,21) |
| InChIKey | FXEATSPSGBZAIZ-UHFFFAOYSA-N |
| Mol Weight | 307.46 g/mol |
| Molecular Formula | C16H25N3OS |
| Exact Mass | 307.171834 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 | 7dChyzfP0w7 |
|---|---|
| Name | 4-(2-Methoxyphenyl)-1-piperazinepentanethioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.171833610 u |
| Formula | C16H25N3OS |
| InChI | InChI=1S/C16H25N3OS/c1-20-15-7-3-2-6-14(15)19-12-10-18(11-13-19)9-5-4-8-16(17)21/h2-3,6-7H,4-5,8-13H2,1H3,(H2,17,21) |
| InChIKey | FXEATSPSGBZAIZ-UHFFFAOYSA-N |
| Molecular Weight | 307.456 g/mol |
| SMILES | C1(N2CCN(CC2)CCCCC(=S)N)=C(OC)C=CC=C1 |