| SpectraBase Compound ID | Ad6SHdMcK07 |
|---|---|
| InChI | InChI=1S/C12H7F13N2S/c1-2-28-6-26-4-3-5(27-6)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3-4H,2H2,1H3 |
| InChIKey | JKSFNYCDNHMDTE-UHFFFAOYSA-N |
| Mol Weight | 458.24 g/mol |
| Molecular Formula | C12H7F13N2S |
| Exact Mass | 458.012236 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | bnzyBFRKt4 |
|---|---|
| Name | 2-(Ethylthio)-4-(tridecafluorohexyl)pyrimidine |
| Alternate Name(s) | 2-(ethylsulfanyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidine Ethyl 4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyrimidinyl sulfide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H7F13N2S |
| InChI | InChI=1S/C12H7F13N2S/c1-2-28-6-26-4-3-5(27-6)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3-4H,2H2,1H3 |
| InChIKey | JKSFNYCDNHMDTE-UHFFFAOYSA-N |
| Molecular Weight | 458.241 g/mol |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(c1nc(SCC)ncc1)(F)F)(F)F)(F)F |
| SPLASH | splash10-0a4i-2300900000-7bdce35ae30f8b9a48b6 |
| Source of Spectrum | AJ-63-295-5 |
| Wiley ID | 1389715 |