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3-pyridinecarbonitrile, 5-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylene]-1,2,5,6-tetrahydro-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-, (5E)-

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3-pyridinecarbonitrile, 5-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylene]-1,2,5,6-tetrahydro-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-, (5E)-
SpectraBase Compound ID KYhSW85tZSE
InChI InChI=1S/C22H19ClN2O4/c1-12(26)11-25-21(27)17(13(2)18(10-24)22(25)28)9-15-7-8-20(29-15)16-5-4-6-19(23)14(16)3/h4-9,12,26H,11H2,1-3H3/b17-9+
InChIKey LIOYGFQAMRCJLW-RQZCQDPDSA-N
Mol Weight 410.86 g/mol
Molecular Formula C22H19ClN2O4
Exact Mass 410.103335 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID k3NyMenMCb
Name 3-pyridinecarbonitrile, 5-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylene]-1,2,5,6-tetrahydro-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-, (5E)-
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/C22H19ClN2O4/c1-12(26)11-25-21(27)17(13(2)18(10-24)22(25)28)9-15-7-8-20(29-15)16-5-4-6-19(23)14(16)3/h4-9,12,26H,11H2,1-3H3/b17-9+
InChIKey LIOYGFQAMRCJLW-RQZCQDPDSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6983
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: NMR/12228903