| SpectraBase Compound ID | 3bfb6pqRfyM |
|---|---|
| InChI | InChI=1S/C22H10F26OS/c1-6-9(11(23,24)13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)3-8(5-49-7(2)50)4-10(6)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h3-4H,5H2,1-2H3 |
| InChIKey | NWQJURXPYNFVHD-UHFFFAOYSA-N |
| Mol Weight | 816.34 g/mol |
| Molecular Formula | C22H10F26OS |
| Exact Mass | 816.003718 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AqOAaauc91H |
|---|---|
| Name | 4-Methyl-3,5-bis(perfluorohexyl)benzyl Thioacetate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H10F26OS |
| InChI | InChI=1S/C22H10F26OS/c1-6-9(11(23,24)13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)3-8(5-49-7(2)50)4-10(6)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h3-4H,5H2,1-2H3 |
| InChIKey | NWQJURXPYNFVHD-UHFFFAOYSA-N |
| Molecular Weight | 816.339 g/mol |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(c1c(c(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cc(c1)COC(=S)C)C)(F)F)(F)F)(F)F |
| SPLASH | splash10-0006-0000000910-2de7f899805085ca85ba |
| Source of Spectrum | U1-2011-4831-22 |
| Wiley ID | 1665836 |