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4-(2-methoxyphenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HCOA6LGocdY
InChI InChI=1S/C18H17N3OS/c1-22-16-10-6-5-9-15(16)21-17(19-20-18(21)23)14-11-13(14)12-7-3-2-4-8-12/h2-10,13-14H,11H2,1H3,(H,20,23)
InChIKey CGPYXFDKOIJFLY-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C18H17N3OS
Exact Mass 323.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7B2xUzJPgRH
Name 4-(2-methoxyphenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-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/C18H17N3OS/c1-22-16-10-6-5-9-15(16)21-17(19-20-18(21)23)14-11-13(14)12-7-3-2-4-8-12/h2-10,13-14H,11H2,1H3,(H,20,23)
InChIKey CGPYXFDKOIJFLY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2538
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: D03621; Labnumber: NCOBK-0131; SBI_ID: SBI-002540
Synonyms 4-(2-methoxyphenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-4H-1,2,4-triazol-3-yl hydrosulfide4-(2-methoxyphenyl)-5-[2-phenylcyclopropyl]-4H-1,2,4-triazole-3-thiol
Temperature 308 °C