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(2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}-2-propen-1-one
SpectraBase Compound ID KmFQXJUeLFl
InChI InChI=1S/C21H22BrNO4/c1-23(2)11-10-15-12-19-21(27-13-26-19)20(25-3)17(15)8-9-18(24)14-4-6-16(22)7-5-14/h4-9,12H,10-11,13H2,1-3H3/b9-8+
InChIKey BKEMLHYTEQVLPN-CMDGGOBGSA-N
Mol Weight 432.31 g/mol
Molecular Formula C21H22BrNO4
Exact Mass 431.073221 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IE7QQs2epLI
Name (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}-2-propen-1-one
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/C21H22BrNO4/c1-23(2)11-10-15-12-19-21(27-13-26-19)20(25-3)17(15)8-9-18(24)14-4-6-16(22)7-5-14/h4-9,12H,10-11,13H2,1-3H3/b9-8+
InChIKey BKEMLHYTEQVLPN-CMDGGOBGSA-N
NMR Offset 16.5807
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_5119
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: E13415; Labnumber: NC98SP32-1753; SBI_ID: SBI-005121
Synonyms 1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}-2-propen-1-one
Temperature 315 °C