| SpectraBase Spectrum ID |
3eLDAIhuJNk |
| Name |
1-Phenyl-4-thiobenzoylpiperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.119069762 u |
| Formula |
C17H18N2S |
| InChI |
InChI=1S/C17H18N2S/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIKey |
LASWLPGBNJNLCQ-UHFFFAOYSA-N |
| Molecular Weight |
282.405 g/mol |
| SMILES |
C=1C(=CC=CC1)N1CCN(CC1)C(=S)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.958827 |