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3-Pyrrolidinecarboxylic acid, 1-(4-bromophenyl)-5-oxo-, 2-oxo-2-phenylethyl ester

View entire compound with spectra: 2 NMR

3-Pyrrolidinecarboxylic acid, 1-(4-bromophenyl)-5-oxo-, 2-oxo-2-phenylethyl ester
SpectraBase Compound ID GmdO7YJ6OiA
InChI InChI=1S/C19H16BrNO4/c20-15-6-8-16(9-7-15)21-11-14(10-18(21)23)19(24)25-12-17(22)13-4-2-1-3-5-13/h1-9,14H,10-12H2
InChIKey IUOKSGQUWROIKU-UHFFFAOYSA-N
Mol Weight 402.24 g/mol
Molecular Formula C19H16BrNO4
Exact Mass 401.026271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 910dzxayUu4
Name 3-Pyrrolidinecarboxylic acid, 1-(4-bromophenyl)-5-oxo-, 2-oxo-2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.026270995 u
Formula C19H16BrNO4
InChI InChI=1S/C19H16BrNO4/c20-15-6-8-16(9-7-15)21-11-14(10-18(21)23)19(24)25-12-17(22)13-4-2-1-3-5-13/h1-9,14H,10-12H2
InChIKey IUOKSGQUWROIKU-UHFFFAOYSA-N
Molecular Weight 402.244 g/mol
SMILES C=1C=CC(C(COC(C2CN(C(C2)=O)C2=CC=C(C=C2)Br)=O)=O)=CC1