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1-(6-hydroxy-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-ium chloride
SpectraBase Compound ID 2suPs0RSuvY
InChI InChI=1S/C21H18N4O3.ClH/c26-19-16(20(27)25(21(28)24-19)12-6-2-1-3-7-12)18-17-14(10-11-22-18)13-8-4-5-9-15(13)23-17;/h1-9,18,22-23,26H,10-11H2,(H,24,28);1H/p+1
InChIKey IEXJPBFRMGFJDZ-UHFFFAOYSA-O
Mol Weight 411.87 g/mol
Molecular Formula C21H20ClN4O3
Exact Mass 411.122393 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I2MngEICDzI
Name 1-(6-hydroxy-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-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/C21H18N4O3.ClH/c26-19-16(20(27)25(21(28)24-19)12-6-2-1-3-7-12)18-17-14(10-11-22-18)13-8-4-5-9-15(13)23-17;/h1-9,18,22-23,26H,10-11H2,(H,24,28);1H/p+1
InChIKey IEXJPBFRMGFJDZ-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23415
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: D40350; Labnumber: NC98SP32-1543; SBI_ID: SBI-023419
Temperature 308 °C