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1-[3-(4-ethoxyphenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium chloride

View entire compound with spectra: 1 NMR

1-[3-(4-ethoxyphenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium chloride
SpectraBase Compound ID DEWeQkiDVe6
InChI InChI=1S/C23H22N4O3S.ClH/c1-2-30-14-9-7-13(8-10-14)27-22(29)18(21(28)26-23(27)31)20-19-16(11-12-24-20)15-5-3-4-6-17(15)25-19;/h3-10,20,24-25,28H,2,11-12H2,1H3,(H,26,31);1H
InChIKey GQEGVNYOBBDGPT-UHFFFAOYSA-N
Mol Weight 470.98 g/mol
Molecular Formula C23H23ClN4O3S
Exact Mass 470.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3N8rOSrmYfz
Name 1-[3-(4-ethoxyphenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium chloride
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/C23H22N4O3S.ClH/c1-2-30-14-9-7-13(8-10-14)27-22(29)18(21(28)26-23(27)31)20-19-16(11-12-24-20)15-5-3-4-6-17(15)25-19;/h3-10,20,24-25,28H,2,11-12H2,1H3,(H,26,31);1H
InChIKey GQEGVNYOBBDGPT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23410
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: D40340; Labnumber: NC98SP32-1533; SBI_ID: SBI-023414
Temperature 308 °C