| SpectraBase Compound ID | DJQ3D3zquY2 |
|---|---|
| InChI | InChI=1S/C18H20N2S/c1-15-7-5-6-10-17(15)19-11-13-20(14-12-19)18(21)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3 |
| InChIKey | DICAYZFMBBPZJR-UHFFFAOYSA-N |
| Mol Weight | 296.43 g/mol |
| Molecular Formula | C18H20N2S |
| Exact Mass | 296.13472 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KbOmYMH2sWM |
|---|---|
| Name | 4-Thiobenzoyl-1-(o-tolyl)piperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.134719826 u |
| Formula | C18H20N2S |
| InChI | InChI=1S/C18H20N2S/c1-15-7-5-6-10-17(15)19-11-13-20(14-12-19)18(21)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3 |
| InChIKey | DICAYZFMBBPZJR-UHFFFAOYSA-N |
| SMILES | C=1C(=C(C=CC1)C)N1CCN(CC1)C(=S)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.983493 |