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(2E)-1-(1,3-benzodioxol-5-yl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one
SpectraBase Compound ID DuzQIuSIybQ
InChI InChI=1S/C17H14O3S/c1-21-14-6-2-12(3-7-14)4-8-15(18)13-5-9-16-17(10-13)20-11-19-16/h2-10H,11H2,1H3/b8-4+
InChIKey MZVLZNGRTNGCOR-XBXARRHUSA-N
Mol Weight 298.36 g/mol
Molecular Formula C17H14O3S
Exact Mass 298.066365 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9hu0gC0D9JS
Name (2E)-1-(1,3-benzodioxol-5-yl)-3-[4-(methylsulfanyl)phenyl]-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/C17H14O3S/c1-21-14-6-2-12(3-7-14)4-8-15(18)13-5-9-16-17(10-13)20-11-19-16/h2-10H,11H2,1H3/b8-4+
InChIKey MZVLZNGRTNGCOR-XBXARRHUSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9530
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: D47238; Labnumber: SPYK-1639; SBI_ID: SBI-009533
Synonyms 1-(1,3-benzodioxol-5-yl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one
Temperature 308 °C