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N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID JcAcROdmDaP
InChI InChI=1S/C25H24Cl2N4OS/c26-18-5-7-19(8-6-18)33-21-4-2-1-3-20(21)29-22(32)24-10-16-9-17(11-24)13-25(12-16,14-24)31-15-28-23(27)30-31/h1-8,15-17H,9-14H2,(H,29,32)
InChIKey RMSJCCSNICVIFD-UHFFFAOYSA-N
Mol Weight 499.46 g/mol
Molecular Formula C25H24Cl2N4OS
Exact Mass 498.104788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Nk5KPiYvWg
Name N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
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/C25H24Cl2N4OS/c26-18-5-7-19(8-6-18)33-21-4-2-1-3-20(21)29-22(32)24-10-16-9-17(11-24)13-25(12-16,14-24)31-15-28-23(27)30-31/h1-8,15-17H,9-14H2,(H,29,32)
InChIKey RMSJCCSNICVIFD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20289
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: UZI/9161416; UBI_ID: UBI-020293
Temperature 308 °C