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(2R)-2-[N-(1,1-Dimethyl)ethoxycarbonylamino]-1-benzoyloxy-5-bromo-4-trifluoromethylpentane

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(2R)-2-[N-(1,1-Dimethyl)ethoxycarbonylamino]-1-benzoyloxy-5-bromo-4-trifluoromethylpentane
SpectraBase Compound ID AqCTMBVt1aF
InChI InChI=1S/C18H23BrF3NO4/c1-17(2,3)27-16(25)23-14(9-13(10-19)18(20,21)22)11-26-15(24)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,23,25)/t13?,14-/m1/s1
InChIKey HMILITWQGZRBJL-ARLHGKGLSA-N
Mol Weight 454.28 g/mol
Molecular Formula C18H23BrF3NO4
Exact Mass 453.076256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 197VvO7o9yt
Name (2R)-2-[N-(1,1-Dimethyl)ethoxycarbonylamino]-1-benzoyloxy-5-bromo-4-trifluoromethylpentane
Alternate Name(s) (2R)-4-(bromomethyl)-2-[(tert-butoxycarbonyl)amino]-5,5,5-trifluoropentyl benzoate benzoic acid[(2R)-4-(bromomethyl)-2-(tert-butoxycarbonylamino)-5,5,5-trifluoro-pentyl]ester benzoic acid[(2R)-4-(bromomethyl)-5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]ester [(2R)-4-(bromomethyl)-5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]benzoate [(2R)-4-(bromomethyl)-5,5,5-tris(fluoranyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]benzoate benzoic acid [(2R)-4-(bromomethyl)-5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl] ester [(2R)-4-(bromomethyl)-5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] benzoate [(2R)-4-(bromomethyl)-2-(tert-butoxycarbonylamino)-5,5,5-trifluoro-pentyl] benzoate [(2R)-4-(bromomethyl)-5,5,5-tris(fluoranyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H23BrF3NO4
InChI InChI=1S/C18H23BrF3NO4/c1-17(2,3)27-16(25)23-14(9-13(10-19)18(20,21)22)11-26-15(24)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,23,25)/t13?,14-/m1/s1
InChIKey HMILITWQGZRBJL-ARLHGKGLSA-N
Molecular Weight 454.284 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](CC(C(F)(F)F)CBr)(COC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-9000000000-3990636ae39ffc36c285
Source of Spectrum K-2002-2054-8
Wiley ID 1612967