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ethyl 6-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
SpectraBase Compound ID 3JOBfq5ICjx
InChI InChI=1S/C25H25ClN2O3S/c1-5-30-25(29)22-16(4)31-24(28)21(12-27)23(22)20-11-17(14(2)10-15(20)3)13-32-19-8-6-18(26)7-9-19/h6-11,23H,5,13,28H2,1-4H3
InChIKey QZWSCWOMAAWXDI-UHFFFAOYSA-N
Mol Weight 469.0 g/mol
Molecular Formula C25H25ClN2O3S
Exact Mass 468.127442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JL1UGCvxzsb
Name ethyl 6-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
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/C25H25ClN2O3S/c1-5-30-25(29)22-16(4)31-24(28)21(12-27)23(22)20-11-17(14(2)10-15(20)3)13-32-19-8-6-18(26)7-9-19/h6-11,23H,5,13,28H2,1-4H3
InChIKey QZWSCWOMAAWXDI-UHFFFAOYSA-N
NMR Offset 17.5268
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14422
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/1016138; UBI_ID: UBI-014425
Temperature 300 °C