| SpectraBase Spectrum ID |
GC57gfkcbcg |
| Name |
4-Tert-butyl-2-methylthiophenol, S-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.073183417 u |
| Formula |
C15H15F7OS |
| InChI |
InChI=1S/C15H15F7OS/c1-8-7-9(12(2,3)4)5-6-10(8)24-11(23)13(16,17)14(18,19)15(20,21)22/h5-7H,1-4H3 |
| InChIKey |
MZLBODSDKQYLPD-UHFFFAOYSA-N |
| Molecular Weight |
376.333 g/mol |
| SMILES |
C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C=C1)C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911414 |
