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1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-thienyl)sulfonyl]piperazine
SpectraBase Compound ID 6PmtaKXUlGK
InChI InChI=1S/C16H17BrN2O4S2/c17-15-3-4-16(24-15)25(20,21)19-7-5-18(6-8-19)10-12-1-2-13-14(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2
InChIKey LLEWJCQJNRCKQA-UHFFFAOYSA-N
Mol Weight 445.35 g/mol
Molecular Formula C16H17BrN2O4S2
Exact Mass 443.981312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1xSlLsqWDk6
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-thienyl)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/C16H17BrN2O4S2/c17-15-3-4-16(24-15)25(20,21)19-7-5-18(6-8-19)10-12-1-2-13-14(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2
InChIKey LLEWJCQJNRCKQA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7156
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: D48009; Labnumber: SPDEM4-7993; SBI_ID: SBI-007159
Temperature 318 °C