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3-(5-{(1E)-2-cyano-3-oxo-3-[(tetrahydro-2-furanylmethyl)amino]-1-propenyl}-2-furyl)-2-methylbenzoic acid
SpectraBase Compound ID JqvLwgxgu4Q
InChI InChI=1S/C21H20N2O5/c1-13-17(5-2-6-18(13)21(25)26)19-8-7-15(28-19)10-14(11-22)20(24)23-12-16-4-3-9-27-16/h2,5-8,10,16H,3-4,9,12H2,1H3,(H,23,24)(H,25,26)/b14-10+
InChIKey ZIZWNQWRPOEOSQ-GXDHUFHOSA-N
Mol Weight 380.4 g/mol
Molecular Formula C21H20N2O5
Exact Mass 380.137222 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GndVLkSySgp
Name 3-(5-{(1E)-2-cyano-3-oxo-3-[(tetrahydro-2-furanylmethyl)amino]-1-propenyl}-2-furyl)-2-methylbenzoic 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/C21H20N2O5/c1-13-17(5-2-6-18(13)21(25)26)19-8-7-15(28-19)10-14(11-22)20(24)23-12-16-4-3-9-27-16/h2,5-8,10,16H,3-4,9,12H2,1H3,(H,23,24)(H,25,26)/b14-10+
InChIKey ZIZWNQWRPOEOSQ-GXDHUFHOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2718
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: UZI/1007587; Labnumber: ARF3224; UZI_ID: UZI-002720
Synonyms 3-(5-{2-cyano-3-oxo-3-[(tetrahydro-2-furanylmethyl)amino]-1-propenyl}-2-furyl)-2-methylbenzoic acid
Temperature 318 °C