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3-(4-Fluoro-phenyl)-5-imino-1,7-dimethyl-2,6-dioxa-bicyclo[2.2.2]octane-4,8,8-tricarbonitrile
SpectraBase Compound ID HGsMZOBrR2S
InChI InChI=1S/C17H13FN4O2/c1-10-15(2)23-13(11-3-5-12(18)6-4-11)17(9-21,14(22)24-15)16(10,7-19)8-20/h3-6,10,13,22H,1-2H3
InChIKey NLOLBHQOIWEONU-UHFFFAOYSA-N
Mol Weight 324.32 g/mol
Molecular Formula C17H13FN4O2
Exact Mass 324.102254 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6tkhiN1AzOo
Name 2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 3-(4-fluorophenyl)-5-imino-1,7-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.102253836 u
Formula C17H13FN4O2
InChI InChI=1S/C17H13FN4O2/c1-10-15(2)23-13(11-3-5-12(18)6-4-11)17(9-21,14(22)24-15)16(10,7-19)8-20/h3-6,10,13,22H,1-2H3
InChIKey NLOLBHQOIWEONU-UHFFFAOYSA-N
Molecular Weight 324.315 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14386
Solvent DMSO-d6
Source Vendor ID: ZI/10038516; Lab Info: Cheb; Lab Number: Cheb-0000010