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N-(4-chloro-2,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide

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N-(4-chloro-2,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID BsywMYTqWdE
InChI InChI=1S/C21H25ClN4O3/c1-28-17-5-16(18(29-2)4-15(17)22)25-19(27)20-6-13-3-14(7-20)9-21(8-13,10-20)26-12-23-11-24-26/h4-5,11-14H,3,6-10H2,1-2H3,(H,25,27)
InChIKey AJGLYEJFLCYJGS-UHFFFAOYSA-N
Mol Weight 416.91 g/mol
Molecular Formula C21H25ClN4O3
Exact Mass 416.161518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KQGrzkIdPBo
Name N-(4-chloro-2,5-dimethoxyphenyl)-3-(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/C21H25ClN4O3/c1-28-17-5-16(18(29-2)4-15(17)22)25-19(27)20-6-13-3-14(7-20)9-21(8-13,10-20)26-12-23-11-24-26/h4-5,11-14H,3,6-10H2,1-2H3,(H,25,27)
InChIKey AJGLYEJFLCYJGS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3244
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/9150465; Labnumber: BAC_UAMK/005180; UZI_ID: UZI-003246
Temperature 308 °C