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2-[Isopropyl(trifluoroacetyl)amino]-1-[(1-naphthyloxy)methyl]ethyl trifluoroacetate
SpectraBase Compound ID KR4MFu6apBj
InChI InChI=1S/C20H19F6NO4/c1-12(2)27(17(28)19(21,22)23)10-14(31-18(29)20(24,25)26)11-30-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3
InChIKey QALUHRIUDJFKPS-UHFFFAOYSA-N
Mol Weight 451.37 g/mol
Molecular Formula C20H19F6NO4
Exact Mass 451.121827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYRAqMtUpm5
Name 2-[Isopropyl(trifluoroacetyl)amino]-1-[(1-naphthyloxy)methyl]ethyl trifluoroacetate
CAS Registry Number 40435-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19F6NO4
InChI InChI=1S/C20H19F6NO4/c1-12(2)27(17(28)19(21,22)23)10-14(31-18(29)20(24,25)26)11-30-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3
InChIKey QALUHRIUDJFKPS-UHFFFAOYSA-N
Molecular Weight 451.365 g/mol
SMILES C(C(F)(F)F)(N(CC(OC(C(F)(F)F)=O)COc1c2c(cccc2)ccc1)C(C)C)=O
SPLASH splash10-0aor-0149000000-5f5ff2b470819b22e476
Source of Spectrum JC-488-364-0
Synonyms Propranolol bis(trifluoroacetate) 2,2,2-trifluoroacetic acid [1-(1-naphthalenyloxy)-3-[propan-2-yl-(2,2,2-trifluoro-1-oxoethyl)amino]propan-2-yl] ester [1-naphthalen-1-yloxy-3-[propan-2-yl-(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate [1-[[isopropyl-(2,2,2-trifluoroacetyl)amino]methyl]-2-(1-naphthyloxy)ethyl] 2,2,2-trifluoroacetate [1-naphthalen-1-yloxy-3-[propan-2-yl-[2,2,2-tris(fluoranyl)ethanoyl]amino]propan-2-yl] 2,2,2-tris(fluoranyl)ethanoate
Wiley ID 1387921