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

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N-(4-chloro-2-methylphenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID VjZ3659F9J
InChI InChI=1S/C20H22Cl2N4O/c1-12-4-15(21)2-3-16(12)24-17(27)19-6-13-5-14(7-19)9-20(8-13,10-19)26-11-23-18(22)25-26/h2-4,11,13-14H,5-10H2,1H3,(H,24,27)/t13-,14+,19+,20-
InChIKey ORDAOOOJFRTHML-GOFCXKROSA-N
Mol Weight 405.33 g/mol
Molecular Formula C20H22Cl2N4O
Exact Mass 404.117067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCsOtUefczB
Name N-(4-chloro-2-methylphenyl)-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/C20H22Cl2N4O/c1-12-4-15(21)2-3-16(12)24-17(27)19-6-13-5-14(7-19)9-20(8-13,10-19)26-11-23-18(22)25-26/h2-4,11,13-14H,5-10H2,1H3,(H,24,27)/t13-,14+,19+,20-
InChIKey ORDAOOOJFRTHML-GOFCXKROSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10958
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/9078589; UBI_ID: UBI-010961
Temperature 308 °C