| SpectraBase Spectrum ID |
EsCfDx9XsaM |
| Name |
1-(m-Chlorophenyl)-4-(thioveratroyl)piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.101226796 u |
| Formula |
C19H21ClN2O2S |
| InChI |
InChI=1S/C19H21ClN2O2S/c1-23-17-7-6-14(12-18(17)24-2)19(25)22-10-8-21(9-11-22)16-5-3-4-15(20)13-16/h3-7,12-13H,8-11H2,1-2H3 |
| InChIKey |
OZVZONVSGXHJLS-UHFFFAOYSA-N |
| Molecular Weight |
376.902 g/mol |
| SMILES |
C=1C(=CC(=CC1)N1CCN(CC1)C(=S)C=1C=CC(=C(C1)OC)OC)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.948411 |
