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Acetic acid, chlorodifluoro-, 4-[2-[(chlorodifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
SpectraBase Compound ID A1zEHUXEnwj
InChI InChI=1S/C15H10Cl3F6NO5/c1-6(25-10(26)13(16,19)20)4-7-2-3-8(29-11(27)14(17,21)22)9(5-7)30-12(28)15(18,23)24/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey BCFQRQHZGQRPOI-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C15H10Cl3F6NO5
Exact Mass 502.952874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eAQJ36vLXa
Name Acetic acid, chlorodifluoro-, 4-[2-[(chlorodifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
CAS Registry Number 74694-27-2
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Formula C15H10Cl3F6NO5
InChI InChI=1S/C15H10Cl3F6NO5/c1-6(25-10(26)13(16,19)20)4-7-2-3-8(29-11(27)14(17,21)22)9(5-7)30-12(28)15(18,23)24/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey BCFQRQHZGQRPOI-UHFFFAOYSA-N
Molecular Weight 504.596 g/mol
SMILES N(C(C(F)(Cl)F)=O)C(Cc1ccc(c(OC(C(F)(F)Cl)=O)c1)OC(C(F)(Cl)F)=O)C
SPLASH splash10-0a4i-0907000000-5194c0cf3d49e9148e7c
Source of Spectrum KO-6-555-1
Synonyms 4-(2-{[chloro(difluoro)acetyl]amino}propyl)-2-{[chloro(difluoro)acetyl]oxy}phenyl chloro(difluoro)acetate Trismonochlorodifluoroacetyl-.alpha.-methyldopamine
Wiley ID 1399367