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7-Bromo-5-(2-chloro-phenyl)-3-(2-nitro-phenylamino)-1,3-dihydro-benzo[E][1,4] diazepin-2-one
SpectraBase Compound ID rJlM3vNdY7
InChI InChI=1S/C21H14BrClN4O3/c22-12-9-10-16-14(11-12)19(13-5-1-2-6-15(13)23)26-20(21(28)25-16)24-17-7-3-4-8-18(17)27(29)30/h1-11,20,24H,(H,25,28)
InChIKey MVGMGBJOQDWLGU-UHFFFAOYSA-N
Mol Weight 485.73 g/mol
Molecular Formula C21H14BrClN4O3
Exact Mass 483.993781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzWfebI8PYK
Name 7-Bromo-5-(2-chloro-phenyl)-3-(2-nitro-phenylamino)-1,3-dihydro-benzo[E][1,4] diazepin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.993781024 u
Formula C21H14BrClN4O3
InChI InChI=1S/C21H14BrClN4O3/c22-12-9-10-16-14(11-12)19(13-5-1-2-6-15(13)23)26-20(21(28)25-16)24-17-7-3-4-8-18(17)27(29)30/h1-11,20,24H,(H,25,28)
InChIKey MVGMGBJOQDWLGU-UHFFFAOYSA-N
Molecular Weight 485.725 g/mol
SMILES C1(C2=C(Cl)C=CC=C2)=NC(C(=O)NC2=C1C=C(Br)C=C2)NC1=C(C=CC=C1)N(=O)=O