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Piperazine-1-carbothioic acid, 4-(4-methoxyphenyl)-, benzylamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Piperazine-1-carbothioic acid, 4-(4-methoxyphenyl)-, benzylamide
SpectraBase Compound ID 2EobfFr88tT
InChI InChI=1S/C19H23N3OS/c1-23-18-9-7-17(8-10-18)21-11-13-22(14-12-21)19(24)20-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,20,24)
InChIKey OUXRRYUIRHEXBI-UHFFFAOYSA-N
Mol Weight 341.47 g/mol
Molecular Formula C19H23N3OS
Exact Mass 341.156184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFUtnOTjebp
Name Piperazine-1-carbothioic acid, 4-(4-methoxyphenyl)-, benzylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.156183546 u
Formula C19H23N3OS
InChI InChI=1S/C19H23N3OS/c1-23-18-9-7-17(8-10-18)21-11-13-22(14-12-21)19(24)20-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,20,24)
InChIKey OUXRRYUIRHEXBI-UHFFFAOYSA-N
Molecular Weight 341.473 g/mol
SMILES C1=CC=CC=C1CNC(=S)N1CCN(CC1)C1=CC=C(C=C1)OC