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1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dichloro-1-benzothien-2-yl)carbonyl]piperazine
SpectraBase Compound ID Ctm51Yaht76
InChI InChI=1S/C21H18Cl2N2O3S/c22-14-2-1-3-17-18(14)19(23)20(29-17)21(26)25-8-6-24(7-9-25)11-13-4-5-15-16(10-13)28-12-27-15/h1-5,10H,6-9,11-12H2
InChIKey FAGOZVMKAWMACL-UHFFFAOYSA-N
Mol Weight 449.35 g/mol
Molecular Formula C21H18Cl2N2O3S
Exact Mass 448.041519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7GOS7ZRxL9F
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dichloro-1-benzothien-2-yl)carbonyl]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/C21H18Cl2N2O3S/c22-14-2-1-3-17-18(14)19(23)20(29-17)21(26)25-8-6-24(7-9-25)11-13-4-5-15-16(10-13)28-12-27-15/h1-5,10H,6-9,11-12H2
InChIKey FAGOZVMKAWMACL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15398
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/9318180; Labnumber: NSB-0098055; UZI_ID: UZI-015402
Temperature 308 °C