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3,3-dimethyl-1-oxo-11-(3-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,f][1,4]diazepin-10-ium
SpectraBase Compound ID 54wbJX6Y9sr
InChI InChI=1S/C20H21N3O/c1-20(2)10-16-18(17(24)11-20)19(13-6-5-9-21-12-13)23-15-8-4-3-7-14(15)22-16/h3-9,12,19,22-23H,10-11H2,1-2H3/p+1
InChIKey OXHCYXWMAGJQFK-UHFFFAOYSA-O
Mol Weight 320.42 g/mol
Molecular Formula C20H22N3O
Exact Mass 320.176287 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Nf2UfvrX7e
Name 3,3-dimethyl-1-oxo-11-(3-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,f][1,4]diazepin-10-ium
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/C20H21N3O/c1-20(2)10-16-18(17(24)11-20)19(13-6-5-9-21-12-13)23-15-8-4-3-7-14(15)22-16/h3-9,12,19,22-23H,10-11H2,1-2H3/p+1
InChIKey OXHCYXWMAGJQFK-UHFFFAOYSA-O
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18218
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: UZI/9120791; UBI_ID: UBI-018221
Temperature 308 °C