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N-[5-(4-bromophenyl)-2-methyl-3-oxo-1-phenylpentyl]carbamic acid tert-butyl ester
SpectraBase Compound ID e8ZU1YXq7L
InChI InChI=1S/C23H28BrNO3/c1-16(20(26)15-12-17-10-13-19(24)14-11-17)21(18-8-6-5-7-9-18)25-22(27)28-23(2,3)4/h5-11,13-14,16,21H,12,15H2,1-4H3,(H,25,27)
InChIKey JLRWVQAKKWULJZ-UHFFFAOYSA-N
Mol Weight 446.39 g/mol
Molecular Formula C23H28BrNO3
Exact Mass 445.125257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gOsqJZMLc9
Name N-[5-(4-bromophenyl)-2-methyl-3-oxo-1-phenylpentyl]carbamic acid tert-butyl ester
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Formula C23H28BrNO3
InChI InChI=1S/C23H28BrNO3/c1-16(20(26)15-12-17-10-13-19(24)14-11-17)21(18-8-6-5-7-9-18)25-22(27)28-23(2,3)4/h5-11,13-14,16,21H,12,15H2,1-4H3,(H,25,27)
InChIKey JLRWVQAKKWULJZ-UHFFFAOYSA-N
Molecular Weight 446.385 g/mol
SMILES N(C(=O)OC(C)(C)C)C(C(C(CCc1ccc(cc1)Br)=O)C)c1ccccc1
SPLASH splash10-0pb9-2911000000-72620c4e26c90d0a9a62
Source of Spectrum D1-2002-473-5
Synonyms N-[5-(4-bromophenyl)-3-keto-2-methyl-1-phenyl-pentyl]carbamic acid tert-butyl ester tert-Butyl N-[5-(4-bromophenyl)-2-methyl-3-oxidanylidene-1-phenyl-pentyl]carbamate tert-Butyl N-[5-(4-bromophenyl)-2-methyl-3-oxo-1-phenyl-pentyl]carbamate
Wiley ID 1548068