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1H-benz[de]isoquinoline-1,3(2H)-dione, 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-
SpectraBase Compound ID 3HoSk0LQ5if
InChI InChI=1S/C17H11N5O6/c1-7-15(8(2)19-18-7)20-16(23)12-5-10(21(25)26)3-9-4-11(22(27)28)6-13(14(9)12)17(20)24/h3-6H,1-2H3,(H,18,19)
InChIKey KNWGWPRRNZAIEM-UHFFFAOYSA-N
Mol Weight 381.3 g/mol
Molecular Formula C17H11N5O6
Exact Mass 381.070933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DMWkMCk8nKL
Name 1H-benz[de]isoquinoline-1,3(2H)-dione, 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.070933088 u
Formula C17H11N5O6
InChI InChI=1S/C17H11N5O6/c1-7-15(8(2)19-18-7)20-16(23)12-5-10(21(25)26)3-9-4-11(22(27)28)6-13(14(9)12)17(20)24/h3-6H,1-2H3,(H,18,19)
InChIKey KNWGWPRRNZAIEM-UHFFFAOYSA-N
Molecular Weight 381.304 g/mol
NMR Offset 16.2999
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2846
Solvent DMSO-d6
Source Vendor ID: NMR/9248397; Lab Info: *0850634*; Lab Number: *0850634*
Temperature 29.85 °C