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2-bromo-N'-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]benzohydrazide
SpectraBase Compound ID K3pEhhXUEFK
InChI InChI=1S/C18H16BrN3O4/c1-26-12-8-6-11(7-9-12)22-16(23)10-15(18(22)25)20-21-17(24)13-4-2-3-5-14(13)19/h2-9,15,20H,10H2,1H3,(H,21,24)
InChIKey BUCQPBWOZWZGDK-UHFFFAOYSA-N
Mol Weight 418.25 g/mol
Molecular Formula C18H16BrN3O4
Exact Mass 417.032419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ad7Lmxs88MX
Name 2-Bromo-N'-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]benzohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 417.032419003 u
Formula C18H16BrN3O4
InChI InChI=1S/C18H16BrN3O4/c1-26-12-8-6-11(7-9-12)22-16(23)10-15(18(22)25)20-21-17(24)13-4-2-3-5-14(13)19/h2-9,15,20H,10H2,1H3,(H,21,24)
InChIKey BUCQPBWOZWZGDK-UHFFFAOYSA-N
Molecular Weight 418.247 g/mol
SMILES N(C(C1=C(Br)C=CC=C1)=O)NC1C(N(C(C1)=O)C=1C=CC(=CC1)OC)=O