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2-amino-4-{4-[(4-bromophenoxy)methyl]-5-methyl-2-thienyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID Hws6TA5Kns1
InChI InChI=1S/C22H19BrN2O3S/c1-12-13(11-27-15-7-5-14(23)6-8-15)9-19(29-12)20-16(10-24)22(25)28-18-4-2-3-17(26)21(18)20/h5-9,20H,2-4,11,25H2,1H3
InChIKey WMCGXLIVDFLMQE-UHFFFAOYSA-N
Mol Weight 471.37 g/mol
Molecular Formula C22H19BrN2O3S
Exact Mass 470.029977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L7veBBWJnpG
Name 2-amino-4-{4-[(4-bromophenoxy)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/C22H19BrN2O3S/c1-12-13(11-27-15-7-5-14(23)6-8-15)9-19(29-12)20-16(10-24)22(25)28-18-4-2-3-17(26)21(18)20/h5-9,20H,2-4,11,25H2,1H3
InChIKey WMCGXLIVDFLMQE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8717
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: 1002070; UBI_ID: UBI-008720
Temperature 313 °C