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4H-imidazol-4-one, 3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-dihydro-2-mercapto-5-[[4-methoxy-3-[(8-quinolinyloxy)methyl]phenyl]methylene]-, (5E)-
SpectraBase Compound ID Hn4CvNEr9Pu
InChI InChI=1S/C27H25N5O3S/c1-3-31-15-19(14-29-31)16-32-26(33)22(30-27(32)36)13-18-9-10-23(34-2)21(12-18)17-35-24-8-4-6-20-7-5-11-28-25(20)24/h4-15H,3,16-17H2,1-2H3,(H,30,36)/b22-13+
InChIKey SJDHRVNCTOTQTN-LPYMAVHISA-N
Mol Weight 499.59 g/mol
Molecular Formula C27H25N5O3S
Exact Mass 499.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID tZ3EB1GhQd
Name 4H-imidazol-4-one, 3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-dihydro-2-mercapto-5-[[4-methoxy-3-[(8-quinolinyloxy)methyl]phenyl]methylene]-, (5E)-
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/C27H25N5O3S/c1-3-31-15-19(14-29-31)16-32-26(33)22(30-27(32)36)13-18-9-10-23(34-2)21(12-18)17-35-24-8-4-6-20-7-5-11-28-25(20)24/h4-15H,3,16-17H2,1-2H3,(H,30,36)/b22-13+
InChIKey SJDHRVNCTOTQTN-LPYMAVHISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21190
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: 1551176; UZI_ID: UZI-021198
Temperature 308 °C