| SpectraBase Spectrum ID |
Jt7bzLnb2Re |
| Name |
4-Hydroxythiophenol, o,S-di(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.965759442 u |
| Formula |
C14H4F14O3S |
| InChI |
InChI=1S/C14H4F14O3S/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-1-3-6(4-2-5)32-8(30)10(17,18)12(21,22)14(26,27)28/h1-4H |
| InChIKey |
BFWNMBHBMWLNQL-UHFFFAOYSA-N |
| Molecular Weight |
518.221 g/mol |
| SMILES |
C1=CC(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)SC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946046 |
