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2-amino-1-ethyl-5,7-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium 4-methylbenzenesulfonate
SpectraBase Compound ID JUmmNeYe7Uk
InChI InChI=1S/C9H14N5.C7H8O3S/c1-4-13-8(10)12-14-7(3)5-6(2)11-9(13)14;1-6-2-4-7(5-3-6)11(8,9)10/h5H,4H2,1-3H3,(H2,10,12);2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey OVQLUXIXIDTPBD-UHFFFAOYSA-M
Mol Weight 363.44 g/mol
Molecular Formula C16H21N5O3S
Exact Mass 363.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HEado6wESsq
Name 2-amino-1-ethyl-5,7-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium 4-methylbenzenesulfonate
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/C9H14N5.C7H8O3S/c1-4-13-8(10)12-14-7(3)5-6(2)11-9(13)14;1-6-2-4-7(5-3-6)11(8,9)10/h5H,4H2,1-3H3,(H2,10,12);2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey OVQLUXIXIDTPBD-UHFFFAOYSA-M
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14763
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: 987/00000531; Labnumber: 987/00000531218805; VK_ID: VK-014768
Temperature 308 °C