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6-(1H-benzimidazol-2-yl)-3-nitro-5,6,6a,7,8,9,10,11-octahydroazepino[1,2-a]quinoline-6-carbonitrile
SpectraBase Compound ID 8lrCrNS03PJ
InChI InChI=1S/C22H21N5O2/c23-14-22(21-24-17-6-3-4-7-18(17)25-21)13-15-12-16(27(28)29)9-10-19(15)26-11-5-1-2-8-20(22)26/h3-4,6-7,9-10,12,20H,1-2,5,8,11,13H2,(H,24,25)
InChIKey WOZFVLCMTANHQB-UHFFFAOYSA-N
Mol Weight 387.44 g/mol
Molecular Formula C22H21N5O2
Exact Mass 387.169525 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FoCyZg4oInE
Name 6-(1H-benzimidazol-2-yl)-3-nitro-5,6,6a,7,8,9,10,11-octahydroazepino[1,2-a]quinoline-6-carbonitrile
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/C22H21N5O2/c23-14-22(21-24-17-6-3-4-7-18(17)25-21)13-15-12-16(27(28)29)9-10-19(15)26-11-5-1-2-8-20(22)26/h3-4,6-7,9-10,12,20H,1-2,5,8,11,13H2,(H,24,25)
InChIKey WOZFVLCMTANHQB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10804
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: E03138; Labnumber: KVEX-10099; SBI_ID: SBI-010807
Temperature 318 °C