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(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid

View entire compound with spectra: 1 NMR

(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid
SpectraBase Compound ID 9120uJB1tpQ
InChI InChI=1S/C11H6BrNO4/c12-8-3-10-9(16-5-17-10)2-6(8)1-7(4-13)11(14)15/h1-3H,5H2,(H,14,15)/b7-1+
InChIKey PMDOWSMYJGTFDU-LREOWRDNSA-N
Mol Weight 296.08 g/mol
Molecular Formula C11H6BrNO4
Exact Mass 294.948021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CWa4Dkniz90
Name (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid
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/C11H6BrNO4/c12-8-3-10-9(16-5-17-10)2-6(8)1-7(4-13)11(14)15/h1-3H,5H2,(H,14,15)/b7-1+
InChIKey PMDOWSMYJGTFDU-LREOWRDNSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16924
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: 987/00004642; Labnumber: 987/00004642218856; VK_ID: VK-016929
Synonyms 3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid
Temperature 305 °C