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Tetraheptafluorobutanoyl derivative of Terbutaline
SpectraBase Compound ID 8YxRBRvOrI6
InChI InChI=1S/C28H15F28NO7/c1-16(2,3)57(12(58)17(29,30)21(37,38)25(45,46)47)7-11(64-15(61)20(35,36)24(43,44)28(54,55)56)8-4-9(62-13(59)18(31,32)22(39,40)26(48,49)50)6-10(5-8)63-14(60)19(33,34)23(41,42)27(51,52)53/h4-6,11H,7H2,1-3H3
InChIKey IOHFXGCGOCANEA-UHFFFAOYSA-N
Mol Weight 1009.38 g/mol
Molecular Formula C28H15F28NO7
Exact Mass 1009.04014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ii4qv3p8zw5
Name Tetraheptafluorobutanoyl derivative of Terbutaline
Alternate Name(s) 1-{3,5-bis[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]phenyl}-2-(N-tert-butyl-2,2,3,3,4,4,4-heptafluorobutanamido)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
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Formula C28H15F28NO7
InChI InChI=1S/C28H15F28NO7/c1-16(2,3)57(12(58)17(29,30)21(37,38)25(45,46)47)7-11(64-15(61)20(35,36)24(43,44)28(54,55)56)8-4-9(62-13(59)18(31,32)22(39,40)26(48,49)50)6-10(5-8)63-14(60)19(33,34)23(41,42)27(51,52)53/h4-6,11H,7H2,1-3H3
InChIKey IOHFXGCGOCANEA-UHFFFAOYSA-N
Molecular Weight 1009.383 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(N(CC(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)c1cc(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)cc(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)c1)C(C)(C)C)=O)(F)F
SPLASH splash10-0a4i-9000000000-93c704fdb9b96f5ed580
Source of Spectrum KO-6-32-1
Wiley ID 1418415