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2-[3'-{N'-(trifluoroacetyl)-N'-(t-butyl)amino-2'-(trifluoroacetoxy)propoxy]-1-chloro-4-methylbenzene
SpectraBase Compound ID J7GZubPl7Jn
InChI InChI=1S/C18H20ClF6NO4/c1-10-5-6-12(19)13(7-10)29-9-11(30-15(28)18(23,24)25)8-26(16(2,3)4)14(27)17(20,21)22/h5-7,11H,8-9H2,1-4H3
InChIKey NPALAMRHSGPSKI-UHFFFAOYSA-N
Mol Weight 463.8 g/mol
Molecular Formula C18H20ClF6NO4
Exact Mass 463.098505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xN4HkFsXNq
Name 2-[3'-{N'-(trifluoroacetyl)-N'-(t-butyl)amino-2'-(trifluoroacetoxy)propoxy]-1-chloro-4-methylbenzene
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Formula C18H20ClF6NO4
InChI InChI=1S/C18H20ClF6NO4/c1-10-5-6-12(19)13(7-10)29-9-11(30-15(28)18(23,24)25)8-26(16(2,3)4)14(27)17(20,21)22/h5-7,11H,8-9H2,1-4H3
InChIKey NPALAMRHSGPSKI-UHFFFAOYSA-N
Molecular Weight 463.804 g/mol
SMILES C(N(C(C)(C)C)CC(OC(C(F)(F)F)=O)COc1c(ccc(c1)C)Cl)(C(F)(F)F)=O
SPLASH splash10-014l-3890000000-3071d93f80c1b2e839ba
Source of Spectrum CJ-0-49-0
Synonyms 2-[tert-butyl(trifluoroacetyl)amino]-1-[(2-chloro-5-methylphenoxy)methyl]ethyl trifluoroacetate Bis(trifluoroacetyl)-bupranolol derivative
Wiley ID 1391262