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

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1-(sec-butyl)-5-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
SpectraBase Compound ID 7wwNcszWDpo
InChI InChI=1S/C19H21ClN4O2S/c1-3-9(2)24-18(26)14(17(25)23-19(24)27)16-15-11(6-7-21-16)12-8-10(20)4-5-13(12)22-15/h4-5,8-9,16,21-22,25H,3,6-7H2,1-2H3,(H,23,27)
InChIKey DSEVQDYZZJLHMH-UHFFFAOYSA-N
Mol Weight 404.92 g/mol
Molecular Formula C19H21ClN4O2S
Exact Mass 404.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CLjlsbb91II
Name 1-(sec-butyl)-5-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-6-oxo-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/C19H21ClN4O2S/c1-3-9(2)24-18(26)14(17(25)23-19(24)27)16-15-11(6-7-21-16)12-8-10(20)4-5-13(12)22-15/h4-5,8-9,16,21-22,25H,3,6-7H2,1-2H3,(H,23,27)
InChIKey DSEVQDYZZJLHMH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_212
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: F03270; Labnumber: KV-05-055-0010