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4-[[4-(3-Chloro-4-methylphenyl)piperazino]methyl]-2-methylthiozole
SpectraBase Compound ID Jz8KL6YCF4n
InChI InChI=1S/C16H20ClN3S/c1-12-3-4-15(9-16(12)17)20-7-5-19(6-8-20)10-14-11-21-13(2)18-14/h3-4,9,11H,5-8,10H2,1-2H3
InChIKey VTYUQYHEHHSVFD-UHFFFAOYSA-N
Mol Weight 321.87 g/mol
Molecular Formula C16H20ClN3S
Exact Mass 321.106647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeCbsh3K67u
Name 4-[[4-(3-Chloro-4-methylphenyl)piperazino]methyl]-2-methylthiozole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.106646530 u
Formula C16H20ClN3S
InChI InChI=1S/C16H20ClN3S/c1-12-3-4-15(9-16(12)17)20-7-5-19(6-8-20)10-14-11-21-13(2)18-14/h3-4,9,11H,5-8,10H2,1-2H3
InChIKey VTYUQYHEHHSVFD-UHFFFAOYSA-N
Molecular Weight 321.870 g/mol
SMILES CC1=CC=C(N2CCN(CC=3N=C(C)SC3)CC2)C=C1Cl