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2-[2-Hydroxyphenyl]-4-[2-nitrophenyl]-3H-1,5-benzodiazepine

View entire compound with spectra: 1 NMR, and 1 FTIR

2-[2-Hydroxyphenyl]-4-[2-nitrophenyl]-3H-1,5-benzodiazepine
SpectraBase Compound ID Etczo5W19MY
InChI InChI=1S/C21H15N3O3/c25-21-12-6-2-8-15(21)19-13-18(14-7-1-5-11-20(14)24(26)27)22-16-9-3-4-10-17(16)23-19/h1-12,25H,13H2
InChIKey FDZJPPYRCXOSIP-UHFFFAOYSA-N
Mol Weight 357.37 g/mol
Molecular Formula C21H15N3O3
Exact Mass 357.111341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRUboJuwu82
Name 2-[2-Hydroxyphenyl]-4-[2-nitrophenyl]-3H-1,5-benzodiazepine
Comments Computed using HOSE algorithm
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Exact Mass 357.111341352 u
Formula C21H15N3O3
InChI InChI=1S/C21H15N3O3/c25-21-12-6-2-8-15(21)19-13-18(14-7-1-5-11-20(14)24(26)27)22-16-9-3-4-10-17(16)23-19/h1-12,25H,13H2
InChIKey FDZJPPYRCXOSIP-UHFFFAOYSA-N
Molecular Weight 357.369 g/mol
SMILES C12=CC=CC=C2N=C(C2=CC=CC=C2O)CC(=N1)C1=C(C=CC=C1)N(=O)=O