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2-thiophenecarboxylic acid, 3-[[(4-phenyl-1-piperazinyl)carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID 4fWfe7GGrAu
InChI InChI=1S/C17H19N3O2S2/c1-22-16(21)15-14(7-12-24-15)18-17(23)20-10-8-19(9-11-20)13-5-3-2-4-6-13/h2-7,12H,8-11H2,1H3,(H,18,23)
InChIKey KGVMWBRHTBYQEK-UHFFFAOYSA-N
Mol Weight 361.48 g/mol
Molecular Formula C17H19N3O2S2
Exact Mass 361.091869 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A8H1MFtJxfM
Name 2-thiophenecarboxylic acid, 3-[[(4-phenyl-1-piperazinyl)carbonothioyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.091869210 u
Formula C17H19N3O2S2
InChI InChI=1S/C17H19N3O2S2/c1-22-16(21)15-14(7-12-24-15)18-17(23)20-10-8-19(9-11-20)13-5-3-2-4-6-13/h2-7,12H,8-11H2,1H3,(H,18,23)
InChIKey KGVMWBRHTBYQEK-UHFFFAOYSA-N
Molecular Weight 361.478 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1045
Solvent DMSO-d6
Source Vendor ID: NMR/13239630