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

View entire compound with spectra: 1 NMR

3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(1-ethyl-1H-benzimidazol-2-yl)-1-adamantanecarboxamide
SpectraBase Compound ID EHnOV4139cO
InChI InChI=1S/C22H25ClN6O/c1-2-28-17-6-4-3-5-16(17)25-20(28)26-18(30)21-8-14-7-15(9-21)11-22(10-14,12-21)29-13-24-19(23)27-29/h3-6,13-15H,2,7-12H2,1H3,(H,25,26,30)
InChIKey YESFPEVHIYBPNQ-UHFFFAOYSA-N
Mol Weight 424.94 g/mol
Molecular Formula C22H25ClN6O
Exact Mass 424.177837 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HKRH95vR7nJ
Name 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(1-ethyl-1H-benzimidazol-2-yl)-1-adamantanecarboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.177837148 u
Formula C22H25ClN6O
InChI InChI=1S/C22H25ClN6O/c1-2-28-17-6-4-3-5-16(17)25-20(28)26-18(30)21-8-14-7-15(9-21)11-22(10-14,12-21)29-13-24-19(23)27-29/h3-6,13-15H,2,7-12H2,1H3,(H,25,26,30)
InChIKey YESFPEVHIYBPNQ-UHFFFAOYSA-N
Molecular Weight 424.936 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3472
Solvent DMSO-d6
Source Vendor ID: NMR/12289395