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2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methoxyphenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID 5jSsiWcpyAY
InChI InChI=1S/C24H18N4O5/c1-13-11-14(2)27(25-13)20-9-7-15(12-21(20)33-3)26-23(29)17-6-4-5-16-19(28(31)32)10-8-18(22(16)17)24(26)30/h4-12H,1-3H3
InChIKey MCVNHMVWYYNWEF-UHFFFAOYSA-N
Mol Weight 442.43 g/mol
Molecular Formula C24H18N4O5
Exact Mass 442.12772 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KK2ojrI2Jtn
Name 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methoxyphenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.127719691 u
Formula C24H18N4O5
InChI InChI=1S/C24H18N4O5/c1-13-11-14(2)27(25-13)20-9-7-15(12-21(20)33-3)26-23(29)17-6-4-5-16-19(28(31)32)10-8-18(22(16)17)24(26)30/h4-12H,1-3H3
InChIKey MCVNHMVWYYNWEF-UHFFFAOYSA-N
Molecular Weight 442.431 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1035
Solvent DMSO-d6
Source Vendor ID: NMR/12269121