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2-butyl-5-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-2-methyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID EwnmZAdEzxP
InChI InChI=1S/C25H24ClNO4/c1-3-4-13-25(2)30-23(28)20(24(29)31-25)14-18-16-27(22-12-8-6-10-19(18)22)15-17-9-5-7-11-21(17)26/h5-12,14,16H,3-4,13,15H2,1-2H3/b20-14-
InChIKey LGRCXRCBPRSABA-ZHZULCJRSA-N
Mol Weight 437.92 g/mol
Molecular Formula C25H24ClNO4
Exact Mass 437.139386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLNdnLqGvXg
Name 2-butyl-5-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-2-methyl-1,3-dioxane-4,6-dione
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/C25H24ClNO4/c1-3-4-13-25(2)30-23(28)20(24(29)31-25)14-18-16-27(22-12-8-6-10-19(18)22)15-17-9-5-7-11-21(17)26/h5-12,14,16H,3-4,13,15H2,1-2H3/b20-14-
InChIKey LGRCXRCBPRSABA-ZHZULCJRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6683
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: 63107; UBI_ID: UBI-006685
Temperature 315 °C