| SpectraBase Spectrum ID |
LfJXzZsEs0k |
| Name |
N,O-bis(trifluoroacetyl)-[1,2-C(13)]-thyroxyne methyl ester |
| Comments |
Original formula: C18[13C]2H11F6I4NO6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H11F6I4NO6 |
| InChI |
InChI=1S/C20H11F6I4NO6/c1-35-16(32)13(31-17(33)19(21,22)23)4-7-2-9(27)14(10(28)3-7)36-8-5-11(29)15(12(30)6-8)37-18(34)20(24,25)26/h2-3,5-6,13H,4H2,1H3,(H,31,33)/i13+1,16+1 |
| InChIKey |
GNRQDGXVCDDTSQ-BNCVGZSCSA-N |
| Molecular Weight |
984.902 g/mol |
| SMILES |
[13CH](Cc1cc(I)c(Oc2cc(c(c(I)c2)OC(C(F)(F)F)=O)I)c(c1)I)([13C](OC)=O)NC(C(F)(F)F)=O |
| SPLASH |
splash10-00ds-0000001594-0de45a4795ecf85d5560 |
| Source of Spectrum |
KO-14-687-2 |
| Synonyms |
Methyl 3-[4-(4-trifluoroacetyl-3,5-diiodophenoxy)-3,5-diiodophenyl]-[(N-trifluoroacetyl)amino]-[1,2-C(13)]-propanoate |
| Wiley ID |
1418349 |
![N,O-bis(trifluoroacetyl)-[1,2-C(13)]-thyroxyne methyl ester](/api/spectrum/LfJXzZsEs0k/structure.png?h=300&w=458 "N,O-bis(trifluoroacetyl)-[1,2-C(13)]-thyroxyne methyl ester")
