SpectraBase Spectrum ID |
J50dZCDRR4s |
Name |
4-Bromothiophenol, S-heptafluorobutyryl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
383.905446063 u |
Formula |
C10H4BrF7OS |
InChI |
InChI=1S/C10H4BrF7OS/c11-5-1-3-6(4-2-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H |
InChIKey |
BLCQDAWKVOUEPP-UHFFFAOYSA-N |
Molecular Weight |
385.094 g/mol |
SMILES |
C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938793 |