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pyrrolidine, 1-(4-butoxyphenyl)-3-[[imino[(2E)-2-[1-(2-thienyl)ethylidene]hydrazino]methyl]thio]-2,5-dioxo-
SpectraBase Compound ID LhXzYM2cghC
InChI InChI=1S/C21H24N4O3S2/c1-3-4-11-28-16-9-7-15(8-10-16)25-19(26)13-18(20(25)27)30-21(22)24-23-14(2)17-6-5-12-29-17/h5-10,12,18H,3-4,11,13H2,1-2H3,(H2,22,24)/b23-14+
InChIKey FDCIFVSUTOURNR-OEAKJJBVSA-N
Mol Weight 444.57 g/mol
Molecular Formula C21H24N4O3S2
Exact Mass 444.128983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EXh3oVU7gFE
Name pyrrolidine, 1-(4-butoxyphenyl)-3-[[imino[(2E)-2-[1-(2-thienyl)ethylidene]hydrazino]methyl]thio]-2,5-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.128982994 u
Formula C21H24N4O3S2
InChI InChI=1S/C21H24N4O3S2/c1-3-4-11-28-16-9-7-15(8-10-16)25-19(26)13-18(20(25)27)30-21(22)24-23-14(2)17-6-5-12-29-17/h5-10,12,18H,3-4,11,13H2,1-2H3,(H2,22,24)/b23-14+
InChIKey FDCIFVSUTOURNR-OEAKJJBVSA-N
Molecular Weight 444.568 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7651
Solvent DMSO-d6
Source Vendor ID: NMR/9313479; Lab Info: UST; Lab Number: UST-AL00046
Temperature 29.85 °C