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2-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 4f8HHCb0Czy
InChI InChI=1S/C22H18ClFN2O3S/c1-11-12(10-28-17-6-5-13(24)8-15(17)23)7-19(30-11)20-14(9-25)22(26)29-18-4-2-3-16(27)21(18)20/h5-8,20H,2-4,10,26H2,1H3
InChIKey SAEMEDCZTTUYFT-UHFFFAOYSA-N
Mol Weight 444.91 g/mol
Molecular Formula C22H18ClFN2O3S
Exact Mass 444.071069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HaJaObtrfA7
Name 2-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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/C22H18ClFN2O3S/c1-11-12(10-28-17-6-5-13(24)8-15(17)23)7-19(30-11)20-14(9-25)22(26)29-18-4-2-3-16(27)21(18)20/h5-8,20H,2-4,10,26H2,1H3
InChIKey SAEMEDCZTTUYFT-UHFFFAOYSA-N
NMR Offset 17.5268
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14265
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/1012639; UBI_ID: UBI-014268
Temperature 300 °C