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11-(4-Methyl-piperazinocarbonyl-trans-methylidene)-6-oxo-1H-dibenz(B,E)azepine cation

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11-(4-Methyl-piperazinocarbonyl-trans-methylidene)-6-oxo-1H-dibenz(B,E)azepine cation
SpectraBase Compound ID Eg2lKIpwyMa
InChI InChI=1S/C21H21N3O2/c1-23-10-12-24(13-11-23)20(25)14-18-15-6-2-3-8-17(15)21(26)22-19-9-5-4-7-16(18)19/h2-9,14H,10-13H2,1H3,(H,22,26)/p+1/b18-14+
InChIKey VBQROPPRMFZXNC-NBVRZTHBSA-O
Mol Weight 348.43 g/mol
Molecular Formula C21H22N3O2
Exact Mass 348.171202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gQ5Vd8bWeA
Name 11-(4-Methyl-piperazinocarbonyl-trans-methylidene)-6-oxo-1H-dibenz(B,E)azepine cation
CAS Registry Number 84629-61-8#
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H22N3O2
InChI InChI=1S/C21H21N3O2/c1-23-10-12-24(13-11-23)20(25)14-18-15-6-2-3-8-17(15)21(26)22-19-9-5-4-7-16(18)19/h2-9,14H,10-13H2,1H3,(H,22,26)/p+1/b18-14+
InChIKey VBQROPPRMFZXNC-NBVRZTHBSA-O
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6