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1H-imidazole-4-hexanoic acid, 2,3-dihydro-epsilon,2-dioxo-5-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-, ethyl ester

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1H-imidazole-4-hexanoic acid, 2,3-dihydro-epsilon,2-dioxo-5-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-, ethyl ester
SpectraBase Compound ID 1X4QQiXFMpH
InChI InChI=1S/C21H22N6O4S/c1-2-31-16(29)10-6-5-9-15(28)18-14(23-20(30)24-18)11-32-21-25-19-17(26-27-21)12-7-3-4-8-13(12)22-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,22,25,27)(H2,23,24,30)
InChIKey BZQIVURSQDEJQM-UHFFFAOYSA-N
Mol Weight 454.51 g/mol
Molecular Formula C21H22N6O4S
Exact Mass 454.142324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2fhKj61ozeH
Name 1H-imidazole-4-hexanoic acid, 2,3-dihydro-epsilon,2-dioxo-5-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-, ethyl ester
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/C21H22N6O4S/c1-2-31-16(29)10-6-5-9-15(28)18-14(23-20(30)24-18)11-32-21-25-19-17(26-27-21)12-7-3-4-8-13(12)22-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,22,25,27)(H2,23,24,30)
InChIKey BZQIVURSQDEJQM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_125
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: l-23/0002894; Labnumber: l-232894; IOH_ID: IOH-007126