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4-cyclohexyl-3-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 1bm7t6N53rH
InChI InChI=1S/C20H26N4OS/c25-18(23-13-7-8-14-23)15-26-20-22-21-19(16-9-3-1-4-10-16)24(20)17-11-5-2-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2
InChIKey XXRYEJQQKHLFHE-UHFFFAOYSA-N
Mol Weight 370.52 g/mol
Molecular Formula C20H26N4OS
Exact Mass 370.182733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5PeT2IPMQHk
Name 4-cyclohexyl-3-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
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/C20H26N4OS/c25-18(23-13-7-8-14-23)15-26-20-22-21-19(16-9-3-1-4-10-16)24(20)17-11-5-2-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2
InChIKey XXRYEJQQKHLFHE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6040
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: NMR/11241748; Labnumber: LP-2110636; IOH_ID: IOH-006041
Synonyms 4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide