SpectraBase Spectrum ID |
4A3IsHRLnbN |
Name |
4,5,6,7-Tetrabromo-1,3-dihydrobenzo[C]thiophene-2-oxide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
463.671637922 u |
Formula |
C8H4Br4OS |
InChI |
InChI=1S/C8H4Br4OS/c9-5-3-1-14(13)2-4(3)6(10)8(12)7(5)11/h1-2H2 |
InChIKey |
TYGDGJLCADDCFM-UHFFFAOYSA-N |
Molecular Weight |
467.795 g/mol |
SMILES |
C1=2C(=C(Br)C(=C(C2Br)Br)Br)CS(C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90598 |