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4H-1-benzopyran-3-carbonitrile, 2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydro-5-oxo-

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4H-1-benzopyran-3-carbonitrile, 2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydro-5-oxo-
SpectraBase Compound ID DijooZuQv5g
InChI InChI=1S/C22H23ClN2O6/c1-10(23)7-11-16(19(28-3)21-20(18(11)27-2)29-9-30-21)15-12(8-24)22(25)31-14-6-4-5-13(26)17(14)15/h10,15H,4-7,9,25H2,1-3H3
InChIKey QQRVEBGQQXXYNC-UHFFFAOYSA-N
Mol Weight 446.89 g/mol
Molecular Formula C22H23ClN2O6
Exact Mass 446.124464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FkR94tNWoxD
Name 4H-1-benzopyran-3-carbonitrile, 2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydro-5-oxo-
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/C22H23ClN2O6/c1-10(23)7-11-16(19(28-3)21-20(18(11)27-2)29-9-30-21)15-12(8-24)22(25)31-14-6-4-5-13(26)17(14)15/h10,15H,4-7,9,25H2,1-3H3
InChIKey QQRVEBGQQXXYNC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4985
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/17311157; Labnumber: 1