| SpectraBase Spectrum ID |
5mWth0vx3FQ |
| Name |
.alpha.,.alpha.,.alpha.-Tribromo-.alpha.',.alpha.',.alpha.'-trichloro-p-xylene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.692872229 u |
| Formula |
C8H4Br3Cl3 |
| InChI |
InChI=1S/C8H4Br3Cl3/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H |
| InChIKey |
MRMHTORKLCPBOH-UHFFFAOYSA-N |
| Molecular Weight |
446.191 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(Br)(Br)Br)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917656 |
