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3-ETHOXYCARBONYLMETHYL-7-NITRO-5-PHENYL-1,3-DIHYDRO-[1,4]-BENZODIAZEPIN-2-ONE-N-OXIDE
SpectraBase Compound ID JitA3f6JWxe
InChI InChI=1S/C19H17N3O6/c1-2-28-17(23)11-16-19(24)20-15-9-8-13(22(26)27)10-14(15)18(21(16)25)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3,(H,20,24)
InChIKey QTHQLZLIKYJCSG-UHFFFAOYSA-N
Mol Weight 383.36 g/mol
Molecular Formula C19H17N3O6
Exact Mass 383.111735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qoMWDzvkcf
Name 3-ETHOXYCARBONYLMETHYL-7-NITRO-5-PHENYL-1,3-DIHYDRO-[1,4]-BENZODIAZEPIN-2-ONE-N-OXIDE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17N3O6
InChI InChI=1S/C19H17N3O6/c1-2-28-17(23)11-16-19(24)20-15-9-8-13(22(26)27)10-14(15)18(21(16)25)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3,(H,20,24)
InChIKey QTHQLZLIKYJCSG-UHFFFAOYSA-N
Literature Reference Author F.HEANEY,S.BOURKE,D.CUNNINGHAM,P.MCARDLE
Literature Reference Citation J.CHEM.SOC.PERKIN-2,547(1998)
Literature Reference DOI 10.1039/a707857i
Molecular Weight 383.360 g/mol
Solvent CDCl3