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2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID DwvUT9hX5jn
InChI InChI=1S/C22H20BrN3OS/c1-13-14(12-27-19-9-5-3-7-17(19)23)10-20(28-13)21-15-6-2-4-8-18(15)26-22(25)16(21)11-24/h3,5,7,9-10H,2,4,6,8,12H2,1H3,(H2,25,26)
InChIKey KIALCQMKIILOKJ-UHFFFAOYSA-N
Mol Weight 454.39 g/mol
Molecular Formula C22H20BrN3OS
Exact Mass 453.051046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GKiQVgZWBwm
Name 2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
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/C22H20BrN3OS/c1-13-14(12-27-19-9-5-3-7-17(19)23)10-20(28-13)21-15-6-2-4-8-18(15)26-22(25)16(21)11-24/h3,5,7,9-10H,2,4,6,8,12H2,1H3,(H2,25,26)
InChIKey KIALCQMKIILOKJ-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14368
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/1014871; UBI_ID: UBI-014371
Temperature 300 °C