| SpectraBase Spectrum ID |
5puFYcS217E |
| Name |
2,6-di-Tert-butyl-4-mercaptophenol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.118241903 u |
| Formula |
C17H21F5O2S |
| InChI |
InChI=1S/C17H21F5O2S/c1-14(2,3)10-7-9(8-11(12(10)23)15(4,5)6)25-13(24)16(18,19)17(20,21)22/h7-8,23H,1-6H3 |
| InChIKey |
BYJMRSWUPWZAIQ-UHFFFAOYSA-N |
| Molecular Weight |
384.405 g/mol |
| SMILES |
C(C)(C)(C)C1=C(O)C(C(C)(C)C)=CC(=C1)SC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944086 |
