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Methyl (4-{[(4-methyl-1-piperazinyl)carbothioyl]amino}phenyl)acetate

View entire compound with spectra: 2 NMR

Methyl (4-{[(4-methyl-1-piperazinyl)carbothioyl]amino}phenyl)acetate
SpectraBase Compound ID CfyuzEP6MgK
InChI InChI=1S/C15H21N3O2S/c1-17-7-9-18(10-8-17)15(21)16-13-5-3-12(4-6-13)11-14(19)20-2/h3-6H,7-11H2,1-2H3,(H,16,21)
InChIKey YPIIMWUROQUFST-UHFFFAOYSA-N
Mol Weight 307.41 g/mol
Molecular Formula C15H21N3O2S
Exact Mass 307.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Mu5TTnVMWo
Name Methyl (4-{[(4-methyl-1-piperazinyl)carbothioyl]amino}phenyl)acetate
Comments Computed using HOSE algorithm
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Exact Mass 307.135448100 u
Formula C15H21N3O2S
InChI InChI=1S/C15H21N3O2S/c1-17-7-9-18(10-8-17)15(21)16-13-5-3-12(4-6-13)11-14(19)20-2/h3-6H,7-11H2,1-2H3,(H,16,21)
InChIKey YPIIMWUROQUFST-UHFFFAOYSA-N
Molecular Weight 307.412 g/mol
SMILES N(C(N1CCN(CC1)C)=S)C=1C=CC(CC(=O)OC)=CC1