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3-({4-[(1E)-2-cyano-3-ethoxy-3-oxo-1-propenyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID Kpzms30fH5c
InChI InChI=1S/C20H17NO5/c1-2-25-20(24)17(12-21)10-14-6-8-18(9-7-14)26-13-15-4-3-5-16(11-15)19(22)23/h3-11H,2,13H2,1H3,(H,22,23)/b17-10+
InChIKey CUJHRPAPDIBIJQ-LICLKQGHSA-N
Mol Weight 351.36 g/mol
Molecular Formula C20H17NO5
Exact Mass 351.110673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KJNEdyQDjBN
Name 3-({4-[(1E)-2-cyano-3-ethoxy-3-oxo-1-propenyl]phenoxy}methyl)benzoic 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/C20H17NO5/c1-2-25-20(24)17(12-21)10-14-6-8-18(9-7-14)26-13-15-4-3-5-16(11-15)19(22)23/h3-11H,2,13H2,1H3,(H,22,23)/b17-10+
InChIKey CUJHRPAPDIBIJQ-LICLKQGHSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6215
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: 62675; UBI_ID: UBI-006217
Synonyms 3-({4-[2-cyano-3-ethoxy-3-oxo-1-propenyl]phenoxy}methyl)benzoic acid
Temperature 308 °C