| SpectraBase Spectrum ID |
HICF0N2oYaZ |
| Name |
5-(3,5-Dibromo-2,4-dihydroxybenzylidene)-2-phenyl-2-thiazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.866990325 u |
| Formula |
C16H9Br2NO3S |
| InChI |
InChI=1S/C16H9Br2NO3S/c17-10-6-9(13(20)12(18)14(10)21)7-11-15(22)19-16(23-11)8-4-2-1-3-5-8/h1-7,20-21H/b11-7- |
| InChIKey |
UVLBAQZQLLSNRJ-XFFZJAGNSA-N |
| Molecular Weight |
455.120 g/mol |
| SMILES |
Oc1c(cc(c(c1Br)O)\C=C\1C(N=C(S1)c1ccccc1)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921068 |
