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Acetic acid, chlorodifluoro-, 4-[2-[(trifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
SpectraBase Compound ID DHDi3qEcevF
InChI InChI=1S/C15H10Cl2F7NO5/c1-6(25-10(26)15(22,23)24)4-7-2-3-8(29-11(27)13(16,18)19)9(5-7)30-12(28)14(17,20)21/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey RJNUYWNTWJYWJF-UHFFFAOYSA-N
Mol Weight 488.14 g/mol
Molecular Formula C15H10Cl2F7NO5
Exact Mass 486.982425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HTVWqN54Ki
Name Acetic acid, chlorodifluoro-, 4-[2-[(trifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
CAS Registry Number 74694-26-1
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Formula C15H10Cl2F7NO5
InChI InChI=1S/C15H10Cl2F7NO5/c1-6(25-10(26)15(22,23)24)4-7-2-3-8(29-11(27)13(16,18)19)9(5-7)30-12(28)14(17,20)21/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey RJNUYWNTWJYWJF-UHFFFAOYSA-N
Molecular Weight 488.142 g/mol
SMILES N(C(C(F)(F)F)=O)C(Cc1ccc(c(OC(C(F)(F)Cl)=O)c1)OC(C(F)(Cl)F)=O)C
SPLASH splash10-0006-0902000000-490495b81227121b1052
Source of Spectrum KO-6-555-1
Synonyms 2-{[chloro(difluoro)acetyl]oxy}-4-{2-[(trifluoroacetyl)amino]propyl}phenyl chloro(difluoro)acetate N-trifluoroacetyl-bismonochlorodifluoroacetyl-.alpha.-methyldopamine
Wiley ID 1396662