![Benzene, [[2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl]thio]-](/api/spectrum/7hr7vVapVkY/structure.png?h=300&w=458 "Benzene, [[2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl]thio]-")
| SpectraBase Compound ID | 630MdG3XfaD |
|---|---|
| InChI | InChI=1S/C12H5F13S/c13-8(14,9(15,16)12(23,24)25)7(10(17,18)19,11(20,21)22)26-6-4-2-1-3-5-6/h1-5H |
| InChIKey | IURNMFAEYUCYLY-UHFFFAOYSA-N |
| Mol Weight | 428.21 g/mol |
| Molecular Formula | C12H5F13S |
| Exact Mass | 427.990437 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7hr7vVapVkY |
|---|---|
| Name | Benzene, [[2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl]thio]- |
| Alternate Name(s) | [[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]thio]benzene [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]sulfanylbenzene [2,2,3,3,4,4,4-heptafluoro-1,1-bis(trifluoromethyl)butyl]sulfanylbenzene [1,1,1,3,3,4,4,5,5,5-decakis(fluoranyl)-2-(trifluoromethyl)pentan-2-yl]sulfanylbenzene |
| CAS Registry Number | 102780-89-2 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H5F13S |
| InChI | InChI=1S/C12H5F13S/c13-8(14,9(15,16)12(23,24)25)7(10(17,18)19,11(20,21)22)26-6-4-2-1-3-5-6/h1-5H |
| InChIKey | IURNMFAEYUCYLY-UHFFFAOYSA-N |
| Molecular Weight | 428.211 g/mol |
| SMILES | C(C(C(F)(F)F)(C(F)(F)F)Sc1ccccc1)(C(C(F)(F)F)(F)F)(F)F |
| SPLASH | splash10-0a4i-0900500000-13451633e4c1f98ee9aa |
| Source of Spectrum | AJ-60-4472-3 |
| Wiley ID | 1380515 |