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(1S)-[Phenyl(pyrrolidinecarbonyl)methyl]-2-bromobutanoate
SpectraBase Compound ID HuupmwSVX5q
InChI InChI=1S/C16H20BrNO3/c1-2-13(17)16(20)21-14(12-8-4-3-5-9-12)15(19)18-10-6-7-11-18/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13?,14-/m0/s1
InChIKey TUHSGYJSQDLWMT-KZUDCZAMSA-N
Mol Weight 354.24 g/mol
Molecular Formula C16H20BrNO3
Exact Mass 353.062657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcB9jND1FD9
Name (1S)-[Phenyl(pyrrolidinecarbonyl)methyl]-2-bromobutanoate
Alternate Name(s) (1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl 2-bromobutanoate 2-Bromobutanoic acid[(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]ester 2-Bromobutyric acid[(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl]ester [(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]2-bromanylbutanoate [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]2-bromobutanoate 2-Bromobutanoic acid [(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-bromobutanoate [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-bromobutanoate [(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-bromanylbutanoate
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Formula C16H20BrNO3
InChI InChI=1S/C16H20BrNO3/c1-2-13(17)16(20)21-14(12-8-4-3-5-9-12)15(19)18-10-6-7-11-18/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13?,14-/m0/s1
InChIKey TUHSGYJSQDLWMT-KZUDCZAMSA-N
Molecular Weight 354.244 g/mol
SMILES C([C@@](OC(=O)C(Br)CC)(c1ccccc1)[H])(N1CCCC1)=O
SPLASH splash10-000i-0936000000-a1eb082e27cc5e6e62d1
Source of Spectrum J-64-7706-11
Wiley ID 1531246