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1-(3-allyl-6-hydroxy-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-(3-allyl-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 EKPniqWMeCf
InChI InChI=1S/C18H18N4O2S.ClH/c1-2-9-22-17(24)13(16(23)21-18(22)25)15-14-11(7-8-19-15)10-5-3-4-6-12(10)20-14;/h2-6,15,19-20,23H,1,7-9H2,(H,21,25);1H
InChIKey KYPJVJPHWYMLCK-UHFFFAOYSA-N
Mol Weight 390.89 g/mol
Molecular Formula C18H19ClN4O2S
Exact Mass 390.091725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Fzt8XCaFcB
Name 1-(3-allyl-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/C18H18N4O2S.ClH/c1-2-9-22-17(24)13(16(23)21-18(22)25)15-14-11(7-8-19-15)10-5-3-4-6-12(10)20-14;/h2-6,15,19-20,23H,1,7-9H2,(H,21,25);1H
InChIKey KYPJVJPHWYMLCK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23412
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: D40344; Labnumber: NC98SP32-1537; SBI_ID: SBI-023416
Temperature 308 °C