| SpectraBase Spectrum ID |
CNnSGDMglj6 |
| Name |
2,3-bis(Bromanyl)-5,8-dimethoxy-1,1-bis(oxidanylidene)thiochromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.845920527 u |
| Formula |
C11H8Br2O5S |
| InChI |
InChI=1S/C11H8Br2O5S/c1-17-5-3-4-6(18-2)10-7(5)9(14)8(12)11(13)19(10,15)16/h3-4H,1-2H3 |
| InChIKey |
KYLBABLKQVGQQC-UHFFFAOYSA-N |
| Molecular Weight |
412.048 g/mol |
| SMILES |
C=1(S(C=2C(C(C1Br)=O)=C(C=CC2OC)OC)(=O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94219 |
