For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-benz[de]isoquinoline-1,3(2H)-dione, 2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-
SpectraBase Compound ID 3LuQSAa2Xmy
InChI InChI=1S/C23H14N6O8/c1-11-21(12(2)26(24-11)14-3-5-15(6-4-14)27(32)33)25-22(30)18-9-16(28(34)35)7-13-8-17(29(36)37)10-19(20(13)18)23(25)31/h3-10H,1-2H3
InChIKey HXIWTXOQYLDIPF-UHFFFAOYSA-N
Mol Weight 502.4 g/mol
Molecular Formula C23H14N6O8
Exact Mass 502.087311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HKW3e6EhRil
Name 1H-benz[de]isoquinoline-1,3(2H)-dione, 2-[3,5-dimethyl-1-(4-nitrophenyl)-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 502.087311427 u
Formula C23H14N6O8
InChI InChI=1S/C23H14N6O8/c1-11-21(12(2)26(24-11)14-3-5-15(6-4-14)27(32)33)25-22(30)18-9-16(28(34)35)7-13-8-17(29(36)37)10-19(20(13)18)23(25)31/h3-10H,1-2H3
InChIKey HXIWTXOQYLDIPF-UHFFFAOYSA-N
Molecular Weight 502.399 g/mol
NMR Offset 16.2999
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2847
Solvent DMSO-d6
Source Vendor ID: NMR/9248398; Lab Info: *0850662*; Lab Number: *0850662*
Temperature 29.85 °C