| SpectraBase Spectrum ID |
9kvmWz14Nlp |
| Name |
2,2''-Thiobis[4'-bromoacetophenone] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.892476798 u |
| Formula |
C16H12Br2O2S |
| InChI |
InChI=1S/C16H12Br2O2S/c17-13-5-1-11(2-6-13)15(19)9-21-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2 |
| InChIKey |
PLCFAVVWPPSFIL-UHFFFAOYSA-N |
| Molecular Weight |
428.138 g/mol |
| SMILES |
C=1C(=CC=C(C1)Br)C(CSCC(C=1C=CC(=CC1)Br)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.829319 |
![2,2''-Thiobis[4'-bromoacetophenone]](/api/spectrum/9kvmWz14Nlp/structure.png?h=300&w=458 "2,2''-Thiobis[4'-bromoacetophenone]")
