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

View entire compound with spectra: 2 NMR

1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-bromophenyl)sulfonyl]piperazine
SpectraBase Compound ID CHGfj9RCMKC
InChI InChI=1S/C18H19BrN2O4S/c19-15-2-4-16(5-3-15)26(22,23)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2
InChIKey LIUBBTLNNWTSRH-UHFFFAOYSA-N
Mol Weight 439.32 g/mol
Molecular Formula C18H19BrN2O4S
Exact Mass 438.024891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VXozdXr3uh
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(4-bromophenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.024891270 u
Formula C18H19BrN2O4S
InChI InChI=1S/C18H19BrN2O4S/c19-15-2-4-16(5-3-15)26(22,23)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2
InChIKey LIUBBTLNNWTSRH-UHFFFAOYSA-N
Molecular Weight 439.324 g/mol
SMILES C=1C=C(S(N2CCN(CC2)CC2=CC=3OCOC3C=C2)(=O)=O)C=CC1Br