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tert-butyl 2-{[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

View entire compound with spectra: 1 NMR

tert-butyl 2-{[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SpectraBase Compound ID 3Md1xFJAOjw
InChI InChI=1S/C20H22BrClN2O3S/c1-20(2,3)27-19(26)16-13-5-6-24(4)10-15(13)28-18(16)23-9-11-7-12(22)8-14(21)17(11)25/h7-9,25H,5-6,10H2,1-4H3/b23-9+
InChIKey VGTHVRZXPMJUFA-NUGSKGIGSA-N
Mol Weight 485.82 g/mol
Molecular Formula C20H22BrClN2O3S
Exact Mass 484.022304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G9qPnBBRVp8
Name tert-butyl 2-{[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-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/C20H22BrClN2O3S/c1-20(2,3)27-19(26)16-13-5-6-24(4)10-15(13)28-18(16)23-9-11-7-12(22)8-14(21)17(11)25/h7-9,25H,5-6,10H2,1-4H3/b23-9+
InChIKey VGTHVRZXPMJUFA-NUGSKGIGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1915
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/8035955; UBI_ID: UBI-001916
Synonyms tert-butyl 2-{[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Temperature 308 °C