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5-(1-adamantyl)-4-methyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

5-(1-adamantyl)-4-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 2JZtbp3HZJc
InChI InChI=1S/C13H19N3S/c1-16-11(14-15-12(16)17)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-10H,2-7H2,1H3,(H,15,17)/t8-,9+,10-,13-
InChIKey ANNIHKXRSJJMHU-QOAFMVCWSA-N
Mol Weight 249.38 g/mol
Molecular Formula C13H19N3S
Exact Mass 249.129969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 60iDKGMDBDK
Name 5-(1-adamantyl)-4-methyl-4H-1,2,4-triazole-3-thiol
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/C13H19N3S/c1-16-11(14-15-12(16)17)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-10H,2-7H2,1H3,(H,15,17)/t8-,9+,10-,13-
InChIKey ANNIHKXRSJJMHU-QOAFMVCWSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1592
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/9234739; Labnumber: LP-2180930
Temperature 303 °C