| SpectraBase Compound ID | 69ZlMaaidAt |
|---|---|
| InChI | InChI=1S/C18H21N3OS/c1-22-17-9-7-15(8-10-17)19-18(23)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,23) |
| InChIKey | FJKDOKKDKCCESN-UHFFFAOYSA-N |
| Mol Weight | 327.45 g/mol |
| Molecular Formula | C18H21N3OS |
| Exact Mass | 327.140533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5eaZoi8R4Sl |
|---|---|
| Name | N-(4-Methoxyphenyl)-4-phenyl-1-piperazinecarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.140533481 u |
| Formula | C18H21N3OS |
| InChI | InChI=1S/C18H21N3OS/c1-22-17-9-7-15(8-10-17)19-18(23)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,23) |
| InChIKey | FJKDOKKDKCCESN-UHFFFAOYSA-N |
| SMILES | N(C(N1CCN(CC1)C1=CC=CC=C1)=S)C=1C=CC(=CC1)OC |