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2-{[5-({[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanone

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2-{[5-({[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
SpectraBase Compound ID APZeuK1VQ18
InChI InChI=1S/C18H20ClN7O2S2/c1-3-20-15-22-16(21-4-2)24-17(23-15)29-10-14-25-26-18(28-14)30-9-13(27)11-5-7-12(19)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H2,20,21,22,23,24)
InChIKey VUYUSWIOZYTVGV-UHFFFAOYSA-N
Mol Weight 465.98 g/mol
Molecular Formula C18H20ClN7O2S2
Exact Mass 465.080843 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JWhSV7QSFdf
Name 2-{[5-({[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
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/C18H20ClN7O2S2/c1-3-20-15-22-16(21-4-2)24-17(23-15)29-10-14-25-26-18(28-14)30-9-13(27)11-5-7-12(19)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H2,20,21,22,23,24)
InChIKey VUYUSWIOZYTVGV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17587
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: 987/00005814; Labnumber: 987/00005814218871; VK_ID: VK-017592
Temperature 318 °C