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2-{[5,7-bis(ethylamino)[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-1-(4-chlorophenyl)-1-propanone
SpectraBase Compound ID L8lmbdFRNpC
InChI InChI=1S/C17H20ClN7OS/c1-4-19-14-21-15(20-5-2)25-16(22-14)23-17(24-25)27-10(3)13(26)11-6-8-12(18)9-7-11/h6-10H,4-5H2,1-3H3,(H2,19,20,21,22,23,24)
InChIKey BRKCKSRSMPWBQB-UHFFFAOYSA-N
Mol Weight 405.91 g/mol
Molecular Formula C17H20ClN7OS
Exact Mass 405.113857 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AhXGY3ttRBX
Name 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-1-(4-chlorophenyl)-1-propanone
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/C17H20ClN7OS/c1-4-19-14-21-15(20-5-2)25-16(22-14)23-17(24-25)27-10(3)13(26)11-6-8-12(18)9-7-11/h6-10H,4-5H2,1-3H3,(H2,19,20,21,22,23,24)
InChIKey BRKCKSRSMPWBQB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15450
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: 987/00002033; Labnumber: 987/00002033218824; VK_ID: VK-015455
Temperature 308 °C