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4-{[(2E)-3-(3-chloro-4-methoxyphenyl)-2-cyano-2-propenoyl]amino}benzoic acid
SpectraBase Compound ID I5NfUXTGDgl
InChI InChI=1S/C18H13ClN2O4/c1-25-16-7-2-11(9-15(16)19)8-13(10-20)17(22)21-14-5-3-12(4-6-14)18(23)24/h2-9H,1H3,(H,21,22)(H,23,24)/b13-8+
InChIKey SRBZBBQKFIFBHC-MDWZMJQESA-N
Mol Weight 356.77 g/mol
Molecular Formula C18H13ClN2O4
Exact Mass 356.056385 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5IaygNfFQS3
Name 4-{[(2E)-3-(3-chloro-4-methoxyphenyl)-2-cyano-2-propenoyl]amino}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/C18H13ClN2O4/c1-25-16-7-2-11(9-15(16)19)8-13(10-20)17(22)21-14-5-3-12(4-6-14)18(23)24/h2-9H,1H3,(H,21,22)(H,23,24)/b13-8+
InChIKey SRBZBBQKFIFBHC-MDWZMJQESA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8395
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: 9686363; UBI_ID: UBI-008398
Synonyms 4-{[3-(3-chloro-4-methoxyphenyl)-2-cyano-2-propenoyl]amino}benzoic acid
Temperature 308 °C