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methyl 3-({[3,5-dioxo-4-(2-phenylethyl)-1-piperazinyl]carbothioyl}amino)-2-thiophenecarboxylate
SpectraBase Compound ID 5VbKcBPx3TD
InChI InChI=1S/C19H19N3O4S2/c1-26-18(25)17-14(8-10-28-17)20-19(27)21-11-15(23)22(16(24)12-21)9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,27)
InChIKey JVLVHTLEOAEIHA-UHFFFAOYSA-N
Mol Weight 417.5 g/mol
Molecular Formula C19H19N3O4S2
Exact Mass 417.081698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KjUvz09tKqw
Name methyl 3-({[3,5-dioxo-4-(2-phenylethyl)-1-piperazinyl]carbothioyl}amino)-2-thiophenecarboxylate
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.081698448 u
Formula C19H19N3O4S2
InChI InChI=1S/C19H19N3O4S2/c1-26-18(25)17-14(8-10-28-17)20-19(27)21-11-15(23)22(16(24)12-21)9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,27)
InChIKey JVLVHTLEOAEIHA-UHFFFAOYSA-N
Molecular Weight 417.498 g/mol
NMR Offset 18.9622
NMR Spectrometer Frequency 500.137
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9267
Solvent DMSO-d6
Source Vendor ID: NMR/13229125