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ethyl 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
SpectraBase Compound ID LI9gKslTB2X
InChI InChI=1S/C27H28ClNO4S/c1-4-32-27(31)25-23(24-21(30)6-5-7-22(24)33-26(25)29)20-13-17(15(2)12-16(20)3)14-34-19-10-8-18(28)9-11-19/h8-13,23H,4-7,14,29H2,1-3H3
InChIKey VAPDKIJRHVFXGZ-UHFFFAOYSA-N
Mol Weight 498.04 g/mol
Molecular Formula C27H28ClNO4S
Exact Mass 497.142757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EFZxTG8SS6W
Name ethyl 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H28ClNO4S/c1-4-32-27(31)25-23(24-21(30)6-5-7-22(24)33-26(25)29)20-13-17(15(2)12-16(20)3)14-34-19-10-8-18(28)9-11-19/h8-13,23H,4-7,14,29H2,1-3H3
InChIKey VAPDKIJRHVFXGZ-UHFFFAOYSA-N
NMR Offset 17.5268
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14332
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/1014056; UBI_ID: UBI-014335
Temperature 300 °C