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3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[2-(phenylsulfanyl)phenyl]-1-adamantanecarboxamide
SpectraBase Compound ID 4oy6ZBtBLKc
InChI InChI=1S/C25H25ClN4OS/c26-23-27-16-30(29-23)25-13-17-10-18(14-25)12-24(11-17,15-25)22(31)28-20-8-4-5-9-21(20)32-19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H,28,31)
InChIKey FCWMJHCDFZKUFO-UHFFFAOYSA-N
Mol Weight 465.02 g/mol
Molecular Formula C25H25ClN4OS
Exact Mass 464.14376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 33O5n8XbaWe
Name 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[2-(phenylsulfanyl)phenyl]-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/C25H25ClN4OS/c26-23-27-16-30(29-23)25-13-17-10-18(14-25)12-24(11-17,15-25)22(31)28-20-8-4-5-9-21(20)32-19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H,28,31)
InChIKey FCWMJHCDFZKUFO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20481
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/9169321; UBI_ID: UBI-020485
Temperature 308 °C