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2-cyclohexen-1-one, 6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-diphenyl-, (5R,6R)-

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2-cyclohexen-1-one, 6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-diphenyl-, (5R,6R)-
SpectraBase Compound ID FYgDtYsW39s
InChI InChI=1S/C20H16N4O3/c25-18-12-16(14-7-3-1-4-8-14)11-17(15-9-5-2-6-10-15)19(18)23-13-21-20(22-23)24(26)27/h1-10,12-13,17,19H,11H2
InChIKey YEFOINVAAQTTLT-UHFFFAOYSA-N
Mol Weight 360.37 g/mol
Molecular Formula C20H16N4O3
Exact Mass 360.12224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IExoYBJRFHN
Name 2-cyclohexen-1-one, 6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-diphenyl-, (5R,6R)-
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/C20H16N4O3/c25-18-12-16(14-7-3-1-4-8-14)11-17(15-9-5-2-6-10-15)19(18)23-13-21-20(22-23)24(26)27/h1-10,12-13,17,19H,11H2
InChIKey YEFOINVAAQTTLT-UHFFFAOYSA-N
NMR Offset 12.6094
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_6596
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: ZI/6061411; Labnumber: L-17/0000627; IOH_ID: IOH-013600
Temperature 297 °C