| SpectraBase Spectrum ID |
5bq7EXOpHFc |
| Name |
2,6-di-Tert-butyl-4-mercaptophenol, S-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.115048229 u |
| Formula |
C18H21F7O2S |
| InChI |
InChI=1S/C18H21F7O2S/c1-14(2,3)10-7-9(8-11(12(10)26)15(4,5)6)28-13(27)16(19,20)17(21,22)18(23,24)25/h7-8,26H,1-6H3 |
| InChIKey |
ABXPRVBVRJCASA-UHFFFAOYSA-N |
| Molecular Weight |
434.413 g/mol |
| SMILES |
C(C)(C)(C)C1=C(O)C(C(C)(C)C)=CC(=C1)SC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912742 |
