![Gadolinium, tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-O,O']-](/api/spectrum/HI7JqGXGNpo/structure.png?h=300&w=458 "Gadolinium, tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-O,O']-")
| SpectraBase Compound ID | JHx3T4gAMoB |
|---|---|
| InChI | InChI=1S/3C8H5F3O2S.Gd/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-3H,4H2;/q;;;+6 |
| InChIKey | BFNZUWXEPKIEBC-UHFFFAOYSA-N |
| Mol Weight | 823.8 g/mol |
| Molecular Formula | C24H15F9GdO6S3 |
| Exact Mass | 823.912817 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HI7JqGXGNpo |
|---|---|
| Name | Gadolinium, tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-O,O']- |
| Alternate Name(s) | 4,10,15-tris(thiophen-2-yl)-2,8,13-tris(trifluoromethyl)-1,5,7,11,12,16-hexaoxa-6-gadolinaspiro[5.5(6).5(6)]hexadeca-1,4,7,10,12,15-hexaene-1,5,7,11,12,16-hexakis(ylium) Gadolinium, tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-kappaO,kappaO')- Gadolinium, tris(thenoyltrifluoroacetonato)- Gadolinium, tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]- Thenoyltrifluoroacetonato chelate of gadoliniumiii Tri-(thenoyltriflueroacetone)gadolinium Tris(2-thenoyltrifluoroacetonate)gadolinium Tris(2-thenoyltrifluoroacetonato)gadolinium NSC 270084 |
| CAS Registry Number | 14054-89-8 |
| Comments | Note: The molecular formula of the structure shown is C24H15F9GdO6S3 - which differs from the formula reported for the mass spectrum (C24H12F9GdO6S3) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H12F9GdO6S3 |
| InChI | InChI=1S/3C8H5F3O2S.Gd/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-3H,4H2;/q;;;+6 |
| InChIKey | BFNZUWXEPKIEBC-UHFFFAOYSA-N |
| Molecular Weight | 823.797 g/mol |
| SMILES | C1(=[O+][Gd]23([O+]=C(C1)c1sccc1)([O+]=C(C(F)(F)F)CC(=[O+]2)c1sccc1)[O+]=C(C(F)(F)F)CC(=[O+]3)c1sccc1)C(F)(F)F |
| SPLASH | splash10-0fdk-0109070670-361598abc782e57a946f |
| Source of Spectrum | B-28-1514-0 |
| Wiley ID | 1417442 |