| SpectraBase Spectrum ID |
DH6W71ECzSe |
| Name |
Coumarin, 3-[2-(4-bromophenyl)-3-thiazolidinyl]carbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.987777486 u |
| Formula |
C19H14BrNO3S |
| InChI |
InChI=1S/C19H14BrNO3S/c20-14-7-5-12(6-8-14)18-21(9-10-25-18)17(22)15-11-13-3-1-2-4-16(13)24-19(15)23/h1-8,11,18H,9-10H2 |
| InChIKey |
YTKYVGUDTYWEBN-UHFFFAOYSA-N |
| Molecular Weight |
416.289 g/mol |
| SMILES |
C1=CC2=C(C=C1)C=C(C(O2)=O)C(N1C(C2=CC=C(C=C2)Br)SCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960055 |
![Coumarin, 3-[2-(4-bromophenyl)-3-thiazolidinyl]carbonyl-](/api/spectrum/DH6W71ECzSe/structure.png?h=300&w=458 "Coumarin, 3-[2-(4-bromophenyl)-3-thiazolidinyl]carbonyl-")
