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2-thiophenecarboxylic acid, 3-[[[4-(3-methoxyphenyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID FAvcS0mDWlP
InChI InChI=1S/C18H21N3O3S2/c1-23-14-5-3-4-13(12-14)20-7-9-21(10-8-20)18(25)19-15-6-11-26-16(15)17(22)24-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)
InChIKey IQXPCJNCRZBRNG-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C18H21N3O3S2
Exact Mass 391.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ANcHwrZbH0
Name 2-thiophenecarboxylic acid, 3-[[[4-(3-methoxyphenyl)-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 391.102433893 u
Formula C18H21N3O3S2
InChI InChI=1S/C18H21N3O3S2/c1-23-14-5-3-4-13(12-14)20-7-9-21(10-8-20)18(25)19-15-6-11-26-16(15)17(22)24-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)
InChIKey IQXPCJNCRZBRNG-UHFFFAOYSA-N
Molecular Weight 391.504 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1034
Solvent DMSO-d6
Source Vendor ID: NMR/13239619