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1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxyphenyl)sulfonyl]piperazine
SpectraBase Compound ID 50bgY7dmhfk
InChI InChI=1S/C19H21BrN2O5S/c1-25-17-5-3-15(11-16(17)20)28(23,24)22-8-6-21(7-9-22)12-14-2-4-18-19(10-14)27-13-26-18/h2-5,10-11H,6-9,12-13H2,1H3
InChIKey HWTNTIZNTXXIMC-UHFFFAOYSA-N
Mol Weight 469.35 g/mol
Molecular Formula C19H21BrN2O5S
Exact Mass 468.035456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ev07AJ4NMmh
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxyphenyl)sulfonyl]piperazine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H21BrN2O5S/c1-25-17-5-3-15(11-16(17)20)28(23,24)22-8-6-21(7-9-22)12-14-2-4-18-19(10-14)27-13-26-18/h2-5,10-11H,6-9,12-13H2,1H3
InChIKey HWTNTIZNTXXIMC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7199
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D48060; Labnumber: SPDEM5-36480; SBI_ID: SBI-007202
Synonyms 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-2-bromophenyl methyl ether
Temperature 318 °C