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

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1-[6-hydroxy-3-(4-methylphenyl)-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 D8REp6xnBej
InChI InChI=1S/C22H20N4O2S.ClH/c1-12-6-8-13(9-7-12)26-21(28)17(20(27)25-22(26)29)19-18-15(10-11-23-19)14-4-2-3-5-16(14)24-18;/h2-9,19,23-24,27H,10-11H2,1H3,(H,25,29);1H
InChIKey ORCMQIBDULTJPZ-UHFFFAOYSA-N
Mol Weight 440.95 g/mol
Molecular Formula C22H21ClN4O2S
Exact Mass 440.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5y3IOWnEVAs
Name 1-[6-hydroxy-3-(4-methylphenyl)-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/C22H20N4O2S.ClH/c1-12-6-8-13(9-7-12)26-21(28)17(20(27)25-22(26)29)19-18-15(10-11-23-19)14-4-2-3-5-16(14)24-18;/h2-9,19,23-24,27H,10-11H2,1H3,(H,25,29);1H
InChIKey ORCMQIBDULTJPZ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23406
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: D40310; Labnumber: NC98SP32-1503; SBI_ID: SBI-023410
Temperature 308 °C