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

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5-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-6-oxo-1-phenethyl-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
SpectraBase Compound ID 1xNxTazQv22
InChI InChI=1S/C23H21ClN4O2S/c24-14-6-7-17-16(12-14)15-8-10-25-20(19(15)26-17)18-21(29)27-23(31)28(22(18)30)11-9-13-4-2-1-3-5-13/h1-7,12,20,25-26,29H,8-11H2,(H,27,31)
InChIKey HKGVLEJVDUCPMI-UHFFFAOYSA-N
Mol Weight 452.96 g/mol
Molecular Formula C23H21ClN4O2S
Exact Mass 452.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CR817g2VPY5
Name 5-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-6-oxo-1-phenethyl-2-thioxo-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/C23H21ClN4O2S/c24-14-6-7-17-16(12-14)15-8-10-25-20(19(15)26-17)18-21(29)27-23(31)28(22(18)30)11-9-13-4-2-1-3-5-13/h1-7,12,20,25-26,29H,8-11H2,(H,27,31)
InChIKey HKGVLEJVDUCPMI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_214
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: F03279; Labnumber: KV-05-055-0047