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pyrrolidine, 3-[[[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]hydrazino]iminomethyl]thio]-1-(4-methoxyphenyl)-2,5-
SpectraBase Compound ID GLhWXOHClML
InChI InChI=1S/C21H22N4O6S/c1-29-14-6-4-13(5-7-14)25-18(26)10-17(20(25)28)32-21(22)24-23-11-12-8-15(30-2)19(27)16(9-12)31-3/h4-9,11,17,27H,10H2,1-3H3,(H2,22,24)/b23-11+
InChIKey XQUXMOKHPDUBED-FOKLQQMPSA-N
Mol Weight 458.49 g/mol
Molecular Formula C21H22N4O6S
Exact Mass 458.126006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CTgw4TS52Kf
Name pyrrolidine, 3-[[[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]hydrazino]iminomethyl]thio]-1-(4-methoxyphenyl)-2,5-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.126005612 u
Formula C21H22N4O6S
InChI InChI=1S/C21H22N4O6S/c1-29-14-6-4-13(5-7-14)25-18(26)10-17(20(25)28)32-21(22)24-23-11-12-8-15(30-2)19(27)16(9-12)31-3/h4-9,11,17,27H,10H2,1-3H3,(H2,22,24)/b23-11+
InChIKey XQUXMOKHPDUBED-FOKLQQMPSA-N
Molecular Weight 458.489 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10354
Solvent DMSO-d6
Source Vendor ID: NMR/10241449; Lab Info: UST; Lab Number: UST-AL00060
Temperature 23.85 °C