| SpectraBase Spectrum ID |
4n7fONKxx9D |
| Name |
Benzene, 1-[[2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl]thio]-4-methyl- |
| CAS Registry Number |
115166-59-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H7F13S |
| InChI |
InChI=1S/C13H7F13S/c1-6-2-4-7(5-3-6)27-8(11(18,19)20,12(21,22)23)9(14,15)10(16,17)13(24,25)26/h2-5H,1H3 |
| InChIKey |
XXIGHQAMMYZNRQ-UHFFFAOYSA-N |
| Molecular Weight |
442.238 g/mol |
| SMILES |
C(C(C(F)(F)F)(C(F)(F)F)Sc1ccc(cc1)C)(C(C(F)(F)F)(F)F)(F)F |
| SPLASH |
splash10-00di-0900300000-339b105646f30cacced7 |
| Source of Spectrum |
AJ-60-4472-3 |
| Synonyms |
1-{[2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl]sulfanyl}-4-methylbenzene
2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl 4-methylphenyl sulfide
4-(4-Methylphenylthio)-4-trifluoromethyl-perfluoropentane |
| Wiley ID |
1385154 |
![Benzene, 1-[[2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl]thio]-4-methyl-](/api/spectrum/4n7fONKxx9D/structure.png?h=300&w=458 "Benzene, 1-[[2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl]thio]-4-methyl-")
