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5-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-1-(3,4-dimethoxyphenethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate

View entire compound with spectra: 1 NMR

5-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-1-(3,4-dimethoxyphenethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
SpectraBase Compound ID 1vhmXz1sBNF
InChI InChI=1S/C25H25ClN4O5/c1-34-18-6-3-13(11-19(18)35-2)8-10-30-24(32)20(23(31)29-25(30)33)22-21-15(7-9-27-22)16-12-14(26)4-5-17(16)28-21/h3-6,11-12,22,27-28,31H,7-10H2,1-2H3,(H,29,33)
InChIKey POWQXYGBILDCRR-UHFFFAOYSA-N
Mol Weight 496.95 g/mol
Molecular Formula C25H25ClN4O5
Exact Mass 496.151348 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IvrCYVLhrhy
Name 5-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-1-(3,4-dimethoxyphenethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
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/C25H25ClN4O5/c1-34-18-6-3-13(11-19(18)35-2)8-10-30-24(32)20(23(31)29-25(30)33)22-21-15(7-9-27-22)16-12-14(26)4-5-17(16)28-21/h3-6,11-12,22,27-28,31H,7-10H2,1-2H3,(H,29,33)
InChIKey POWQXYGBILDCRR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_213
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: F03272; Labnumber: KV-05-055-0033