| SpectraBase Spectrum ID |
2wP2Tu8gPpy |
| Name |
1-(4'''-bromobenzylidene)-4-[2'-(3'',4''-dimethoxyphenyl)ethyl]-3-thiosemicarbazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.045961068 u |
| Formula |
C18H20BrN3O2S |
| InChI |
InChI=1S/C18H20BrN3O2S/c1-23-16-8-5-13(11-17(16)24-2)9-10-20-18(25)22-21-12-14-3-6-15(19)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H2,20,22,25)/b21-12+ |
| InChIKey |
QTLIKVOGYMOBSV-CIAFOILYSA-N |
| Molecular Weight |
422.341 g/mol |
| SMILES |
C=1(C=CC(CCNC(N\N=C\C2=CC=C(C=C2)Br)=S)=CC1OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929509 |
![1-(4"'-Bromobenzylidene)-4-[2'-(3",4"-dimethoxyphenyl)ethyl]-3-thiosemicarbazide](/api/spectrum/2wP2Tu8gPpy/structure.png?h=300&w=458 "1-(4\"'-Bromobenzylidene)-4-[2'-(3\",4\"-dimethoxyphenyl)ethyl]-3-thiosemicarbazide")
