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2,2-Dimethyl-5,5-bis(4-nitrobenzyl)-1,3-dioxane-4,6-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,2-Dimethyl-5,5-bis(4-nitrobenzyl)-1,3-dioxane-4,6-dione
SpectraBase Compound ID 3DOKRmtC4XO
InChI InChI=1S/C20H18N2O8/c1-19(2)29-17(23)20(18(24)30-19,11-13-3-7-15(8-4-13)21(25)26)12-14-5-9-16(10-6-14)22(27)28/h3-10H,11-12H2,1-2H3
InChIKey VSODMOTYJZXJOB-UHFFFAOYSA-N
Mol Weight 414.37 g/mol
Molecular Formula C20H18N2O8
Exact Mass 414.106316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DaE9acgAIJH
Name 2,2-dimethyl-5,5-bis(4-nitrobenzyl)-1,3-dioxane-4,6-dione
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/C20H18N2O8/c1-19(2)29-17(23)20(18(24)30-19,11-13-3-7-15(8-4-13)21(25)26)12-14-5-9-16(10-6-14)22(27)28/h3-10H,11-12H2,1-2H3
InChIKey VSODMOTYJZXJOB-UHFFFAOYSA-N
NMR Offset 18.0216
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3431
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: ZI/6064838; Labnumber: lp-010312; IOH_ID: IOH-003432
Temperature 297 °C