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1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3-(4-bromophenyl)-2-propenoyl]piperazine
SpectraBase Compound ID 23js9fYnNfg
InChI InChI=1S/C21H21BrN2O3/c22-18-5-1-16(2-6-18)4-8-21(25)24-11-9-23(10-12-24)14-17-3-7-19-20(13-17)27-15-26-19/h1-8,13H,9-12,14-15H2/b8-4+
InChIKey FVLPXUQOYNZACE-XBXARRHUSA-N
Mol Weight 429.31 g/mol
Molecular Formula C21H21BrN2O3
Exact Mass 428.073556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CIvCteToQcS
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3-(4-bromophenyl)-2-propenoyl]piperazine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H21BrN2O3/c22-18-5-1-16(2-6-18)4-8-21(25)24-11-9-23(10-12-24)14-17-3-7-19-20(13-17)27-15-26-19/h1-8,13H,9-12,14-15H2/b8-4+
InChIKey FVLPXUQOYNZACE-XBXARRHUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2357
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/9352995; Labnumber: AM-AC/0193826; UZI_ID: UZI-002359
Synonyms 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-bromophenyl)-2-propenoyl]piperazine
Temperature 318 °C