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Tri-o-Pentafluoropropionyl derivative of Terbutaline
SpectraBase Compound ID 4EsFBd5Yon9
InChI InChI=1S/C21H16F15NO6/c1-15(2,3)37-7-11(43-14(40)18(26,27)21(34,35)36)8-4-9(41-12(38)16(22,23)19(28,29)30)6-10(5-8)42-13(39)17(24,25)20(31,32)33/h4-6,11,37H,7H2,1-3H3
InChIKey ZACWJFGCLVDANC-UHFFFAOYSA-N
Mol Weight 663.34 g/mol
Molecular Formula C21H16F15NO6
Exact Mass 663.07381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6ad5HqF8vB
Name Tri-o-Pentafluoropropionyl derivative of Terbutaline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16F15NO6
InChI InChI=1S/C21H16F15NO6/c1-15(2,3)37-7-11(43-14(40)18(26,27)21(34,35)36)8-4-9(41-12(38)16(22,23)19(28,29)30)6-10(5-8)42-13(39)17(24,25)20(31,32)33/h4-6,11,37H,7H2,1-3H3
InChIKey ZACWJFGCLVDANC-UHFFFAOYSA-N
Molecular Weight 663.336 g/mol
SMILES N(CC(c1cc(OC(C(C(F)(F)F)(F)F)=O)cc(OC(C(C(F)(F)F)(F)F)=O)c1)OC(C(C(F)(F)F)(F)F)=O)C(C)(C)C
SPLASH splash10-000i-9000000000-18af993d155f4037714c
Source of Spectrum KO-6-32-1
Synonyms 1-{3,5-bis[(2,2,3,3,3-pentafluoropropanoyl)oxy]phenyl}-2-(tert-butylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
Wiley ID 1413668