| SpectraBase Spectrum ID |
AtDVDrgiKFp |
| Name |
1-Bromo-2-[[(E)-1,2-dibromo-2-[(2-bromophenyl)methylsulfanyl]ethenyl]sulfanylmethyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
583.711394734 u |
| Formula |
C16H12Br4S2 |
| InChI |
InChI=1S/C16H12Br4S2/c17-13-7-3-1-5-11(13)9-21-15(19)16(20)22-10-12-6-2-4-8-14(12)18/h1-8H,9-10H2/b16-15+ |
| InChIKey |
AEAMOCGQKOWRIX-FOCLMDBBSA-N |
| SMILES |
C(S\C(=C\(SCC=1C(Br)=CC=CC1)Br)Br)C=1C(Br)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874726 |
![1-Bromo-2-[[(E)-1,2-dibromo-2-[(2-bromophenyl)methylsulfanyl]ethenyl]sulfanylmethyl]benzene](/api/spectrum/AtDVDrgiKFp/structure.png?h=300&w=458 "1-Bromo-2-[[(E)-1,2-dibromo-2-[(2-bromophenyl)methylsulfanyl]ethenyl]sulfanylmethyl]benzene")
