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2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID KpZT3r3RrqI
InChI InChI=1S/C23H21BrN2O3S/c1-2-19-13(12-28-15-8-6-14(24)7-9-15)10-20(30-19)21-16(11-25)23(26)29-18-5-3-4-17(27)22(18)21/h6-10,21H,2-5,12,26H2,1H3
InChIKey SWXWHXIDFXHFAC-UHFFFAOYSA-N
Mol Weight 485.4 g/mol
Molecular Formula C23H21BrN2O3S
Exact Mass 484.045627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8XRPPzVqlGF
Name 2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethyl-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/C23H21BrN2O3S/c1-2-19-13(12-28-15-8-6-14(24)7-9-15)10-20(30-19)21-16(11-25)23(26)29-18-5-3-4-17(27)22(18)21/h6-10,21H,2-5,12,26H2,1H3
InChIKey SWXWHXIDFXHFAC-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14384
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/1015209; UBI_ID: UBI-014387
Temperature 300 °C