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1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine

View entire compound with spectra: 2 NMR

1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
SpectraBase Compound ID 9eFabAAFPXl
InChI InChI=1S/C19H22N2O5S/c1-24-16-3-5-17(6-4-16)27(22,23)21-10-8-20(9-11-21)13-15-2-7-18-19(12-15)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3
InChIKey MECJAFOFMVXITH-UHFFFAOYSA-N
Mol Weight 390.45 g/mol
Molecular Formula C19H22N2O5S
Exact Mass 390.124943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Jme9ED1sE7
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.124942985 u
Formula C19H22N2O5S
InChI InChI=1S/C19H22N2O5S/c1-24-16-3-5-17(6-4-16)27(22,23)21-10-8-20(9-11-21)13-15-2-7-18-19(12-15)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3
InChIKey MECJAFOFMVXITH-UHFFFAOYSA-N
Molecular Weight 390.454 g/mol
SMILES COC=1C=CC(S(N2CCN(CC2)CC2=CC=3OCOC3C=C2)(=O)=O)=CC1