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Tetra-trifluoroacetyl derivative of Terbutaline
SpectraBase Compound ID LMnxyuHHQSt
InChI InChI=1S/C20H15F12NO7/c1-16(2,3)33(12(34)17(21,22)23)7-11(40-15(37)20(30,31)32)8-4-9(38-13(35)18(24,25)26)6-10(5-8)39-14(36)19(27,28)29/h4-6,11H,7H2,1-3H3
InChIKey FTDXFYNMKSQOLE-UHFFFAOYSA-N
Mol Weight 609.32 g/mol
Molecular Formula C20H15F12NO7
Exact Mass 609.06569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Y8fgqUAV85
Name Tetra-trifluoroacetyl derivative of Terbutaline
Alternate Name(s) 1-{3,5-bis[(trifluoroacetyl)oxy]phenyl}-2-[tert-butyl(trifluoroacetyl)amino]ethyl trifluoroacetate
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Formula C20H15F12NO7
InChI InChI=1S/C20H15F12NO7/c1-16(2,3)33(12(34)17(21,22)23)7-11(40-15(37)20(30,31)32)8-4-9(38-13(35)18(24,25)26)6-10(5-8)39-14(36)19(27,28)29/h4-6,11H,7H2,1-3H3
InChIKey FTDXFYNMKSQOLE-UHFFFAOYSA-N
Molecular Weight 609.321 g/mol
SMILES C(N(CC(OC(C(F)(F)F)=O)c1cc(OC(C(F)(F)F)=O)cc(c1)OC(C(F)(F)F)=O)C(C)(C)C)(C(F)(F)F)=O
SPLASH splash10-0a4i-9500000000-d8e7008abd8c58ede53e
Source of Spectrum KO-6-32-1
Wiley ID 1410814