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cyclopentanecarboxamide, 1-(4-nitrophenyl)-N-[(4-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylphenyl)methyl]-
SpectraBase Compound ID BHr1ze5KX4a
InChI InChI=1S/C22H20N6O3S/c29-20(22(11-1-2-12-22)17-7-9-18(10-8-17)28(30)31)23-13-15-3-5-16(6-4-15)19-26-27-14-24-25-21(27)32-19/h3-10,14H,1-2,11-13H2,(H,23,29)
InChIKey CNAITVUMIMXJSU-UHFFFAOYSA-N
Mol Weight 448.5 g/mol
Molecular Formula C22H20N6O3S
Exact Mass 448.13176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HIPOZUlPV71
Name cyclopentanecarboxamide, 1-(4-nitrophenyl)-N-[(4-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylphenyl)methyl]-
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/C22H20N6O3S/c29-20(22(11-1-2-12-22)17-7-9-18(10-8-17)28(30)31)23-13-15-3-5-16(6-4-15)19-26-27-14-24-25-21(27)32-19/h3-10,14H,1-2,11-13H2,(H,23,29)
InChIKey CNAITVUMIMXJSU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9807
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: F36335; Labnumber: SPMOS2-63714