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Acetic acid, [[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]amino]-, methyl ester
SpectraBase Compound ID 7Gi8XH47t7x
InChI InChI=1S/C13H13BrN2O4/c1-20-12(18)7-15-10-6-11(17)16(13(10)19)9-4-2-8(14)3-5-9/h2-5,10,15H,6-7H2,1H3
InChIKey RIKVREYPYKGLOT-UHFFFAOYSA-N
Mol Weight 341.16 g/mol
Molecular Formula C13H13BrN2O4
Exact Mass 340.00587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DgYIJuevYR
Name Acetic acid, [[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.005869903 u
Formula C13H13BrN2O4
InChI InChI=1S/C13H13BrN2O4/c1-20-12(18)7-15-10-6-11(17)16(13(10)19)9-4-2-8(14)3-5-9/h2-5,10,15H,6-7H2,1H3
InChIKey RIKVREYPYKGLOT-UHFFFAOYSA-N
Molecular Weight 341.161 g/mol
SMILES N(C1C(N(C(C1)=O)C1=CC=C(C=C1)Br)=O)CC(=O)OC