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(2Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid

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(2Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid
SpectraBase Compound ID 1K8ULTUyipK
InChI InChI=1S/C11H7NO4/c12-5-8(11(13)14)3-7-1-2-9-10(4-7)16-6-15-9/h1-4H,6H2,(H,13,14)/b8-3-
InChIKey LJKHUTHWDPAAIA-BAQGIRSFSA-N
Mol Weight 217.18 g/mol
Molecular Formula C11H7NO4
Exact Mass 217.037508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5HP3hscnlGT
Name (2Z)-3-(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/C11H7NO4/c12-5-8(11(13)14)3-7-1-2-9-10(4-7)16-6-15-9/h1-4H,6H2,(H,13,14)/b8-3-
InChIKey LJKHUTHWDPAAIA-BAQGIRSFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17361
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: 987/00005417; Labnumber: 987/00005417218866; VK_ID: VK-017366
Synonyms 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid
Temperature 308 °C