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5-Acetyl-4-amino-2-(4-benzyl-1-piperazinyl)-3-thiophenecarbonitrile

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

5-Acetyl-4-amino-2-(4-benzyl-1-piperazinyl)-3-thiophenecarbonitrile
SpectraBase Compound ID 6B0NPfTJ5P7
InChI InChI=1S/C18H20N4OS/c1-13(23)17-16(20)15(11-19)18(24-17)22-9-7-21(8-10-22)12-14-5-3-2-4-6-14/h2-6H,7-10,12,20H2,1H3
InChIKey YKIAFBSRSWPCBT-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C18H20N4OS
Exact Mass 340.135782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9encMi2rHz2
Name 5-Acetyl-4-amino-2-(4-benzyl-1-piperazinyl)-3-thiophenecarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.135782453 u
Formula C18H20N4OS
InChI InChI=1S/C18H20N4OS/c1-13(23)17-16(20)15(11-19)18(24-17)22-9-7-21(8-10-22)12-14-5-3-2-4-6-14/h2-6H,7-10,12,20H2,1H3
InChIKey YKIAFBSRSWPCBT-UHFFFAOYSA-N
Molecular Weight 340.445 g/mol
SMILES C1(=C(SC(=C1N)C(=O)C)N1CCN(CC1)CC=1C=CC=CC1)C#N