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

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N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID Ddsw49tU8Nz
InChI InChI=1S/C21H24Cl2N4O3/c1-29-16-5-15(17(30-2)4-14(16)22)25-18(28)20-6-12-3-13(7-20)9-21(8-12,10-20)27-11-24-19(23)26-27/h4-5,11-13H,3,6-10H2,1-2H3,(H,25,28)
InChIKey BZJSOBSSIHMOOQ-UHFFFAOYSA-N
Mol Weight 451.35 g/mol
Molecular Formula C21H24Cl2N4O3
Exact Mass 450.122546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bh1vpwC7uRg
Name N-(4-chloro-2,5-dimethoxyphenyl)-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/C21H24Cl2N4O3/c1-29-16-5-15(17(30-2)4-14(16)22)25-18(28)20-6-12-3-13(7-20)9-21(8-12,10-20)27-11-24-19(23)26-27/h4-5,11-13H,3,6-10H2,1-2H3,(H,25,28)
InChIKey BZJSOBSSIHMOOQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19219
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/9137799; UBI_ID: UBI-019222
Temperature 318 °C