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Acetic acid, trifluoro-, 4-[2-[(trifluoroacetyl)amino]ethyl-1,1,2,2-D4]-1,2-phenylene ester
SpectraBase Compound ID IzN7kHqIKeL
InChI InChI=1S/C14H8F9NO5/c15-12(16,17)9(25)24-4-3-6-1-2-7(28-10(26)13(18,19)20)8(5-6)29-11(27)14(21,22)23/h1-2,5H,3-4H2,(H,24,25)/i3D2,4D2
InChIKey ROWYZKLUWDEHTH-KHORGVISSA-N
Mol Weight 445.23 g/mol
Molecular Formula C14H42D4F9NO5
Exact Mass 445.050983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNdqV3Eqjtu
Name Acetic acid, trifluoro-, 4-[2-[(trifluoroacetyl)amino]ethyl-1,1,2,2-D4]-1,2-phenylene ester
CAS Registry Number 53833-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H4D4F9NO5
InChI InChI=1S/C14H8F9NO5/c15-12(16,17)9(25)24-4-3-6-1-2-7(28-10(26)13(18,19)20)8(5-6)29-11(27)14(21,22)23/h1-2,5H,3-4H2,(H,24,25)/i3D2,4D2
InChIKey ROWYZKLUWDEHTH-KHORGVISSA-N
Molecular Weight 445.230 g/mol
SMILES N(C(C(F)(F)F)=O)C(C(c1ccc(c(OC(C(F)(F)F)=O)c1)OC(C(F)(F)F)=O)([2D])[2D])([2D])[2D]
SPLASH splash10-001i-1009000000-0a29440c6409ed4e4f74
Source of Spectrum JC-99-533-3
Synonyms Deuterodopamine-trifluoroacetyl
Wiley ID 1384993