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5-(4-Methoxyphenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(4-Methoxyphenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
SpectraBase Compound ID 5hSPXHhMvVa
InChI InChI=1S/C16H13N3O4/c1-23-12-5-2-10(3-6-12)16-13-8-11(19(21)22)4-7-14(13)18-15(20)9-17-16/h2-8H,9H2,1H3,(H,18,20)
InChIKey STLOHAMGZXIXFF-UHFFFAOYSA-N
Mol Weight 311.3 g/mol
Molecular Formula C16H13N3O4
Exact Mass 311.090606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KE11XxzkrF
Name 5-(4-Methoxyphenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.090605907 u
Formula C16H13N3O4
InChI InChI=1S/C16H13N3O4/c1-23-12-5-2-10(3-6-12)16-13-8-11(19(21)22)4-7-14(13)18-15(20)9-17-16/h2-8H,9H2,1H3,(H,18,20)
InChIKey STLOHAMGZXIXFF-UHFFFAOYSA-N
Molecular Weight 311.297 g/mol
SMILES C=12C(=NCC(NC2=CC=C(N(=O)=O)C1)=O)C1=CC=C(C=C1)OC