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1-(4-Chlorophenyl)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one

View entire compound with spectra: 2 NMR, and 1 FTIR

1-(4-Chlorophenyl)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
SpectraBase Compound ID CafIxyQVSTT
InChI InChI=1S/C18H15ClO5/c1-21-16-12(9-15-17(18(16)22-2)24-10-23-15)5-8-14(20)11-3-6-13(19)7-4-11/h3-9H,10H2,1-2H3/b8-5+
InChIKey DOBGOQCXTYDTQH-VMPITWQZSA-N
Mol Weight 346.77 g/mol
Molecular Formula C18H15ClO5
Exact Mass 346.060801 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HD90vFqq047
Name 2-propen-1-one, 1-(4-chlorophenyl)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-, (2E)-
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/C18H15ClO5/c1-21-16-12(9-15-17(18(16)22-2)24-10-23-15)5-8-14(20)11-3-6-13(19)7-4-11/h3-9H,10H2,1-2H3/b8-5+
InChIKey DOBGOQCXTYDTQH-VMPITWQZSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5333
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: NMR/17311566; Labnumber: TSH-801/0007