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Acetic acid, trifluoro-, 4-[2-[(trifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
SpectraBase Compound ID Jr3gOUwSvEL
InChI InChI=1S/C15H10F9NO5/c1-6(25-10(26)13(16,17)18)4-7-2-3-8(29-11(27)14(19,20)21)9(5-7)30-12(28)15(22,23)24/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey ZCZJXXJMYBZLFY-UHFFFAOYSA-N
Mol Weight 455.23 g/mol
Molecular Formula C15H10F9NO5
Exact Mass 455.041526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7zNzx7aY6n
Name Acetic acid, trifluoro-, 4-[2-[(trifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
CAS Registry Number 74694-25-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10F9NO5
InChI InChI=1S/C15H10F9NO5/c1-6(25-10(26)13(16,17)18)4-7-2-3-8(29-11(27)14(19,20)21)9(5-7)30-12(28)15(22,23)24/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey ZCZJXXJMYBZLFY-UHFFFAOYSA-N
Molecular Weight 455.233 g/mol
SMILES N(C(C(F)(F)F)=O)C(Cc1ccc(c(OC(C(F)(F)F)=O)c1)OC(C(F)(F)F)=O)C
SPLASH splash10-0006-0903000000-8c02e5d85db6c2a41593
Source of Spectrum KO-6-555-1
Synonyms 4-{2-[(trifluoroacetyl)amino]propyl}-2-[(trifluoroacetyl)oxy]phenyl trifluoroacetate Tristrifluoroacetyl-.alpha.-methyldopamine
Wiley ID 1388972