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acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-
SpectraBase Compound ID 4OuQlYptgl8
InChI InChI=1S/C21H18N4O3S/c1-13-8-19-23-24-21(25(19)16-5-3-2-4-15(13)16)29-11-20(26)22-10-14-6-7-17-18(9-14)28-12-27-17/h2-9H,10-12H2,1H3,(H,22,26)
InChIKey PYKZQLDOPNFIPE-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C21H18N4O3S
Exact Mass 406.109962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9SzfsaaFkvo
Name acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-
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/C21H18N4O3S/c1-13-8-19-23-24-21(25(19)16-5-3-2-4-15(13)16)29-11-20(26)22-10-14-6-7-17-18(9-14)28-12-27-17/h2-9H,10-12H2,1H3,(H,22,26)
InChIKey PYKZQLDOPNFIPE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_851
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/11228537