| SpectraBase Spectrum ID |
5CfmBdH77eg |
| Name |
Biphenyl-4-thiol, S-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.026233224 u |
| Formula |
C16H9F7OS |
| InChI |
InChI=1S/C16H9F7OS/c17-14(18,15(19,20)16(21,22)23)13(24)25-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey |
JZTITQUOUYAOIX-UHFFFAOYSA-N |
| Molecular Weight |
382.296 g/mol |
| SMILES |
C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946519 |
