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1-(1,3-benzodioxol-5-ylmethyl)-4-(1-benzothien-3-ylcarbonyl)piperazine
SpectraBase Compound ID LkUteillX5c
InChI InChI=1S/C21H20N2O3S/c24-21(17-13-27-20-4-2-1-3-16(17)20)23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11,13H,7-10,12,14H2
InChIKey KLJQKAYZTOJXRW-UHFFFAOYSA-N
Mol Weight 380.46 g/mol
Molecular Formula C21H20N2O3S
Exact Mass 380.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3RkGoVXWFVB
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-benzothien-3-ylcarbonyl)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/C21H20N2O3S/c24-21(17-13-27-20-4-2-1-3-16(17)20)23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11,13H,7-10,12,14H2
InChIKey KLJQKAYZTOJXRW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21114
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: UZI/9346018; UBI_ID: UBI-021118
Temperature 318 °C