| SpectraBase Spectrum ID |
BQ3BhdAZLru |
| Name |
Benzoic acid, 3-(heptafluorobutyrylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.984762333 u |
| Formula |
C11H5F7O3S |
| InChI |
InChI=1S/C11H5F7O3S/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-2-5(4-6)7(19)20/h1-4H,(H,19,20) |
| InChIKey |
NERQSFXREBYQNJ-UHFFFAOYSA-N |
| Molecular Weight |
350.207 g/mol |
| SMILES |
C1=CC=C(C=C1C(=O)O)SC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973205 |
