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5-nitro-2-(8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)benzonitrile
SpectraBase Compound ID ACtXkXmMLEc
InChI InChI=1S/C18H16N4O3/c19-8-13-7-15(22(24)25)4-5-16(13)20-9-12-6-14(11-20)17-2-1-3-18(23)21(17)10-12/h1-5,7,12,14H,6,9-11H2
InChIKey WBKDQBSSRNRVGN-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C18H16N4O3
Exact Mass 336.12224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 23oRedv9z17
Name 5-nitro-2-(8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)benzonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H16N4O3/c19-8-13-7-15(22(24)25)4-5-16(13)20-9-12-6-14(11-20)17-2-1-3-18(23)21(17)10-12/h1-5,7,12,14H,6,9-11H2
InChIKey WBKDQBSSRNRVGN-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3063
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10218931