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1H-indole-1-acetic acid, 2,3-dihydro-2-oxo-3-[4-oxo-3-[(3-pyridinylcarbonyl)amino]-2-thioxo-5-thiazolidinylidene]-, ethyl ester, (3E)-

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1H-indole-1-acetic acid, 2,3-dihydro-2-oxo-3-[4-oxo-3-[(3-pyridinylcarbonyl)amino]-2-thioxo-5-thiazolidinylidene]-, ethyl ester, (3E)-
SpectraBase Compound ID I9jHIu6SrFy
InChI InChI=1S/C21H16N4O5S2/c1-2-30-15(26)11-24-14-8-4-3-7-13(14)16(19(24)28)17-20(29)25(21(31)32-17)23-18(27)12-6-5-9-22-10-12/h3-10H,2,11H2,1H3,(H,23,27)/b17-16+
InChIKey KYKRDWMFIVDTJX-WUKNDPDISA-N
Mol Weight 468.5 g/mol
Molecular Formula C21H16N4O5S2
Exact Mass 468.056212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JIF3LLN3t2
Name 1H-indole-1-acetic acid, 2,3-dihydro-2-oxo-3-[4-oxo-3-[(3-pyridinylcarbonyl)amino]-2-thioxo-5-thiazolidinylidene]-, ethyl ester, (3E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.056211974 u
Formula C21H16N4O5S2
InChI InChI=1S/C21H16N4O5S2/c1-2-30-15(26)11-24-14-8-4-3-7-13(14)16(19(24)28)17-20(29)25(21(31)32-17)23-18(27)12-6-5-9-22-10-12/h3-10H,2,11H2,1H3,(H,23,27)/b17-16+
InChIKey KYKRDWMFIVDTJX-WUKNDPDISA-N
Molecular Weight 468.502 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3361
Solvent DMSO-d6
Source Vendor ID: NMR/9278537; Lab Number: BAS 0909198
Temperature 29.85 °C