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1H-indole, 3-[(E)-[[imino[[1-(3-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]methyl]hydrazono]methyl]-
SpectraBase Compound ID IZB3FphLo0Q
InChI InChI=1S/C20H16N6O4S/c21-20(24-23-11-12-10-22-16-7-2-1-6-15(12)16)31-17-9-18(27)25(19(17)28)13-4-3-5-14(8-13)26(29)30/h1-8,10-11,17,22H,9H2,(H2,21,24)/b23-11+
InChIKey XKKARUUMURXLRU-FOKLQQMPSA-N
Mol Weight 436.45 g/mol
Molecular Formula C20H16N6O4S
Exact Mass 436.095374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Vno24w9qFN
Name 1H-indole, 3-[(E)-[[imino[[1-(3-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]methyl]hydrazono]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.095374189 u
Formula C20H16N6O4S
InChI InChI=1S/C20H16N6O4S/c21-20(24-23-11-12-10-22-16-7-2-1-6-15(12)16)31-17-9-18(27)25(19(17)28)13-4-3-5-14(8-13)26(29)30/h1-8,10-11,17,22H,9H2,(H2,21,24)/b23-11+
InChIKey XKKARUUMURXLRU-FOKLQQMPSA-N
Molecular Weight 436.446 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7650
Solvent DMSO-d6
Source Vendor ID: NMR/9313478; Lab Info: UST; Lab Number: UST-AL00045
Temperature 29.85 °C