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1-[6-hydroxy-3-(4-isopropylphenyl)-2,4-dioxo-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-isopropylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium chloride
SpectraBase Compound ID A0HjS1Y8M1G
InChI InChI=1S/C24H24N4O3.ClH/c1-13(2)14-7-9-15(10-8-14)28-23(30)19(22(29)27-24(28)31)21-20-17(11-12-25-21)16-5-3-4-6-18(16)26-20;/h3-10,13,21,25-26,29H,11-12H2,1-2H3,(H,27,31);1H
InChIKey LDLBBIFOSSTPPF-UHFFFAOYSA-N
Mol Weight 452.94 g/mol
Molecular Formula C24H25ClN4O3
Exact Mass 452.161518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2BmOWzsWshl
Name 1-[6-hydroxy-3-(4-isopropylphenyl)-2,4-dioxo-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/C24H24N4O3.ClH/c1-13(2)14-7-9-15(10-8-14)28-23(30)19(22(29)27-24(28)31)21-20-17(11-12-25-21)16-5-3-4-6-18(16)26-20;/h3-10,13,21,25-26,29H,11-12H2,1-2H3,(H,27,31);1H
InChIKey LDLBBIFOSSTPPF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23417
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: D40353; Labnumber: NC98SP32-1546; SBI_ID: SBI-023421
Temperature 318 °C