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1-[(3-Methyl-2-thienyl)carbonyl]-4-(phenylsulfonyl)piperazine

View entire compound with spectra: 2 NMR

1-[(3-Methyl-2-thienyl)carbonyl]-4-(phenylsulfonyl)piperazine
SpectraBase Compound ID HZ07GpdbDFx
InChI InChI=1S/C16H18N2O3S2/c1-13-7-12-22-15(13)16(19)17-8-10-18(11-9-17)23(20,21)14-5-3-2-4-6-14/h2-7,12H,8-11H2,1H3
InChIKey OUYMAFYZWLHIRA-UHFFFAOYSA-N
Mol Weight 350.45 g/mol
Molecular Formula C16H18N2O3S2
Exact Mass 350.075885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUcGraXvyjU
Name 1-[(3-Methyl-2-thienyl)carbonyl]-4-(phenylsulfonyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 350.075884793 u
Formula C16H18N2O3S2
InChI InChI=1S/C16H18N2O3S2/c1-13-7-12-22-15(13)16(19)17-8-10-18(11-9-17)23(20,21)14-5-3-2-4-6-14/h2-7,12H,8-11H2,1H3
InChIKey OUYMAFYZWLHIRA-UHFFFAOYSA-N
Molecular Weight 350.451 g/mol
SMILES C=1C=CC(S(N2CCN(C(C3=C(C=CS3)C)=O)CC2)(=O)=O)=CC1