| SpectraBase Spectrum ID |
70JC42GbGvA |
| Name |
4-Bromo-5-[4-[4-(methylthio)phenyl]piperazin-1-yl]veratrole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.066362161 u |
| Formula |
C19H23BrN2O2S |
| InChI |
InChI=1S/C19H23BrN2O2S/c1-23-18-12-16(20)17(13-19(18)24-2)22-10-8-21(9-11-22)14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3 |
| InChIKey |
ACCJCSSAACLPJE-UHFFFAOYSA-N |
| Molecular Weight |
423.369 g/mol |
| SMILES |
C1(=CC(N2CCN(CC2)C2=CC=C(C=C2)SC)=C(C=C1OC)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940106 |
![4-Bromo-5-[4-[4-(methylthio)phenyl]piperazin-1-yl]veratrole](/api/spectrum/70JC42GbGvA/structure.png?h=300&w=458 "4-Bromo-5-[4-[4-(methylthio)phenyl]piperazin-1-yl]veratrole")
