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3,3-dimethyl-11-(5-nitro-2-furyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,f][1,4]diazepin-10-ium
SpectraBase Compound ID CakhF3wxFKv
InChI InChI=1S/C19H19N3O4/c1-19(2)9-13-17(14(23)10-19)18(15-7-8-16(26-15)22(24)25)21-12-6-4-3-5-11(12)20-13/h3-8,18,20-21H,9-10H2,1-2H3/p+1
InChIKey FAGDDYKDMJWQIE-UHFFFAOYSA-O
Mol Weight 354.39 g/mol
Molecular Formula C19H20N3O4
Exact Mass 354.145381 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I6hIuGcHFiC
Name 3,3-dimethyl-11-(5-nitro-2-furyl)-1-oxo-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/C19H19N3O4/c1-19(2)9-13-17(14(23)10-19)18(15-7-8-16(26-15)22(24)25)21-12-6-4-3-5-11(12)20-13/h3-8,18,20-21H,9-10H2,1-2H3/p+1
InChIKey FAGDDYKDMJWQIE-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18328
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/9121825; UBI_ID: UBI-018331
Temperature 318 °C