| SpectraBase Spectrum ID |
KF9MLtlNi6x |
| Name |
Benzoic acid, 3-(pentafluoropropionylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.987956007 u |
| Formula |
C10H5F5O3S |
| InChI |
InChI=1S/C10H5F5O3S/c11-9(12,10(13,14)15)8(18)19-6-3-1-2-5(4-6)7(16)17/h1-4H,(H,16,17) |
| InChIKey |
VRTCZLDKAZAKNU-UHFFFAOYSA-N |
| Molecular Weight |
300.199 g/mol |
| SMILES |
C1=C(C=CC=C1C(=O)O)SC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919524 |
