| SpectraBase Spectrum ID |
EscKxPmYX4N |
| Name |
4-[(5-Bromanyl-1,3-benzodioxol-2-yl)oxy]-2,3,5,6-tetrakis(chloranyl)phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.812532437 u |
| Formula |
C13H5BrCl4O4 |
| InChI |
InChI=1S/C13H5BrCl4O4/c14-4-1-2-5-6(3-4)21-13(20-5)22-12-9(17)7(15)11(19)8(16)10(12)18/h1-3,13,19H |
| InChIKey |
QNHMUEHJJHQDGM-UHFFFAOYSA-N |
| Molecular Weight |
446.895 g/mol |
| SMILES |
C=1(C(=C(Cl)C(=C(C1Cl)Cl)O)Cl)OC1OC2=CC(Br)=CC=C2O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923717 |
![4-[(5-Bromanyl-1,3-benzodioxol-2-yl)oxy]-2,3,5,6-tetrakis(chloranyl)phenol](/api/spectrum/EscKxPmYX4N/structure.png?h=300&w=458 "4-[(5-Bromanyl-1,3-benzodioxol-2-yl)oxy]-2,3,5,6-tetrakis(chloranyl)phenol")
