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4-(3-Butoxy-2-methyl-3-oxo-2-[(2,2,3,3,3-pentafluoropropanoyl)amino]propyl)-2-[(2,2,3,3,3-pentafluoropropanoyl)oxy]phenyl 2,2,3,3,3-pentafluoropropanoate
SpectraBase Compound ID AXsxggj0rtt
InChI InChI=1S/C23H18F15NO7/c1-3-4-7-44-14(41)17(2,39-13(40)18(24,25)21(30,31)32)9-10-5-6-11(45-15(42)19(26,27)22(33,34)35)12(8-10)46-16(43)20(28,29)23(36,37)38/h5-6,8H,3-4,7,9H2,1-2H3,(H,39,40)
InChIKey UGPLBBKYBDZVJF-UHFFFAOYSA-N
Mol Weight 705.37 g/mol
Molecular Formula C23H18F15NO7
Exact Mass 705.084374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8S8XOLpBAag
Name 4-(3-Butoxy-2-methyl-3-oxo-2-[(2,2,3,3,3-pentafluoropropanoyl)amino]propyl)-2-[(2,2,3,3,3-pentafluoropropanoyl)oxy]phenyl 2,2,3,3,3-pentafluoropropanoate
CAS Registry Number 76381-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18F15NO7
InChI InChI=1S/C23H18F15NO7/c1-3-4-7-44-14(41)17(2,39-13(40)18(24,25)21(30,31)32)9-10-5-6-11(45-15(42)19(26,27)22(33,34)35)12(8-10)46-16(43)20(28,29)23(36,37)38/h5-6,8H,3-4,7,9H2,1-2H3,(H,39,40)
InChIKey UGPLBBKYBDZVJF-UHFFFAOYSA-N
Molecular Weight 705.373 g/mol
SMILES N(C(C(C(F)(F)F)(F)F)=O)C(C)(Cc1ccc(c(c1)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)C(=O)OCCCC
SPLASH splash10-05mo-9380421000-28d0c4557bf7936c4335
Source of Spectrum W5-1989-6461-1
Synonyms .alpha.-Methyldopa butyl ester tripfp 3-[3,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)phenyl]-2-methyl-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]propanoic acid butyl ester 3-[3,4-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl]-2-methyl-2-(2,2,3,3,3-pentafluoropropanoylamino)propionic acid butyl ester Butyl 3-[3,4-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl]-2-methyl-2-(2,2,3,3,3-pentafluoropropanoylamino)propanoate Butyl 3-[3,4-bis[2,2,3,3,3-pentakis(fluoranyl)propanoyloxy]phenyl]-2-methyl-2-[2,2,3,3,3-pentakis(fluoranyl)propanoylamino]propanoate
Wiley ID 1415179