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valine, N-benzoyl-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

valine, N-benzoyl-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID 8Cwg41sQog1
InChI InChI=1S/C20H20BrNO4/c1-13(2)18(22-19(24)15-6-4-3-5-7-15)20(25)26-12-17(23)14-8-10-16(21)11-9-14/h3-11,13,18H,12H2,1-2H3,(H,22,24)
InChIKey QGHATZYLGNBASW-UHFFFAOYSA-N
Mol Weight 418.29 g/mol
Molecular Formula C20H20BrNO4
Exact Mass 417.057571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmszrpUGcDo
Name Valine, N-benzoyl-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.057571124 u
Formula C20H20BrNO4
InChI InChI=1S/C20H20BrNO4/c1-13(2)18(22-19(24)15-6-4-3-5-7-15)20(25)26-12-17(23)14-8-10-16(21)11-9-14/h3-11,13,18H,12H2,1-2H3,(H,22,24)
InChIKey QGHATZYLGNBASW-UHFFFAOYSA-N
Molecular Weight 418.287 g/mol
SMILES N(C(=O)C=1C=CC=CC1)C(C(OCC(C1=CC=C(C=C1)Br)=O)=O)C(C)C