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Bis-TFA derivative of deisopropyl metabolite of propranol
SpectraBase Compound ID 6qNdAUfHSWi
InChI InChI=1S/C17H13F6NO4/c18-16(19,20)14(25)24-8-11(28-15(26)17(21,22)23)9-27-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,24,25)
InChIKey VKRMZRYFBVEALL-UHFFFAOYSA-N
Mol Weight 409.28 g/mol
Molecular Formula C17H13F6NO4
Exact Mass 409.074877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LajhaEenuV3
Name Bis-TFA derivative of deisopropyl metabolite of propranol
Alternate Name(s) 2-(1-naphthyloxy)-1-{[(trifluoroacetyl)amino]methyl}ethyl trifluoroacetate Deisopropyl metabolite of propranolol-bis-TFA derivative N,N-bis(Trifluoroacetyl)-3-(1'-naphthyloxy0-2-hydroxypropylamine
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Formula C17H13F6NO4
InChI InChI=1S/C17H13F6NO4/c18-16(19,20)14(25)24-8-11(28-15(26)17(21,22)23)9-27-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,24,25)
InChIKey VKRMZRYFBVEALL-UHFFFAOYSA-N
Molecular Weight 409.284 g/mol
SMILES N(C(C(F)(F)F)=O)CC(OC(C(F)(F)F)=O)COc1c2c(cccc2)ccc1
SPLASH splash10-0006-0910200000-b244563c567b75241dad
Source of Spectrum D3-1980-676-20
Wiley ID 1373262