| SpectraBase Spectrum ID |
FhujVed8owW |
| Name |
4-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-3-(4-chlorobenzoyl)-1,2,5-thiadiazole |
| Comments |
Note: The molecular formula of the structure shown is C13H4ClF7N2O2S - which differs from the formula reported for the mass spectrum (C12H4ClF7N2OS) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H4ClF7N2OS |
| InChI |
InChI=1S/C13H4ClF7N2O2S/c14-6-3-1-5(2-4-6)9(24)7-8(23-26-22-7)10(25)11(15,16)12(17,18)13(19,20)21/h1-4H |
| InChIKey |
WQMVGZYLCSLBDG-UHFFFAOYSA-N |
| Molecular Weight |
420.689 g/mol |
| SMILES |
C(F)(C(=O)c1c(nsn1)C(c1ccc(cc1)Cl)=O)(C(C(F)(F)F)(F)F)F |
| SPLASH |
splash10-00dr-3294000000-24037365f2408e864084 |
| Source of Spectrum |
H1-53-169-3 |
| Wiley ID |
817740 |
