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Piperazine, 1-(phenylsulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-

View entire compound with spectra: 2 NMR

Piperazine, 1-(phenylsulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-
SpectraBase Compound ID BP7NYPRKInF
InChI InChI=1S/C20H26N2O5S/c1-25-18-10-9-16(19(26-2)20(18)27-3)15-21-11-13-22(14-12-21)28(23,24)17-7-5-4-6-8-17/h4-10H,11-15H2,1-3H3
InChIKey LQIGVZWRPLNAIT-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C20H26N2O5S
Exact Mass 406.156243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9uQFKCdnirR
Name Piperazine, 1-(phenylsulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 406.156243114 u
Formula C20H26N2O5S
InChI InChI=1S/C20H26N2O5S/c1-25-18-10-9-16(19(26-2)20(18)27-3)15-21-11-13-22(14-12-21)28(23,24)17-7-5-4-6-8-17/h4-10H,11-15H2,1-3H3
InChIKey LQIGVZWRPLNAIT-UHFFFAOYSA-N
Molecular Weight 406.497 g/mol
SMILES C1=CC=C(S(N2CCN(CC2)CC=2C(=C(OC)C(=CC2)OC)OC)(=O)=O)C=C1