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4H-1,2,4-triazole-4-butanol, 3-mercapto-5-(4-pyridinyl)-

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4H-1,2,4-triazole-4-butanol, 3-mercapto-5-(4-pyridinyl)-
SpectraBase Compound ID IH2AQbHVBz1
InChI InChI=1S/C11H14N4OS/c16-8-2-1-7-15-10(13-14-11(15)17)9-3-5-12-6-4-9/h3-6,16H,1-2,7-8H2,(H,14,17)
InChIKey CPCJYMLWAXTICI-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C11H14N4OS
Exact Mass 250.088832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JbhNdo9numS
Name 4H-1,2,4-triazole-4-butanol, 3-mercapto-5-(4-pyridinyl)-
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/C11H14N4OS/c16-8-2-1-7-15-10(13-14-11(15)17)9-3-5-12-6-4-9/h3-6,16H,1-2,7-8H2,(H,14,17)
InChIKey CPCJYMLWAXTICI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10023
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: F36590; Labnumber: BAL5-1829