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

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N-(2-acetyl-4,5-dimethoxyphenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID LjQyz9E6z5Z
InChI InChI=1S/C23H27ClN4O4/c1-13(29)16-5-18(31-2)19(32-3)6-17(16)26-20(30)22-7-14-4-15(8-22)10-23(9-14,11-22)28-12-25-21(24)27-28/h5-6,12,14-15H,4,7-11H2,1-3H3,(H,26,30)
InChIKey BYKIEIKDTZQLHU-UHFFFAOYSA-N
Mol Weight 458.95 g/mol
Molecular Formula C23H27ClN4O4
Exact Mass 458.172083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHGLf2vqRnt
Name N-(2-acetyl-4,5-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/C23H27ClN4O4/c1-13(29)16-5-18(31-2)19(32-3)6-17(16)26-20(30)22-7-14-4-15(8-22)10-23(9-14,11-22)28-12-25-21(24)27-28/h5-6,12,14-15H,4,7-11H2,1-3H3,(H,26,30)
InChIKey BYKIEIKDTZQLHU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19282
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/9139047; UBI_ID: UBI-019286
Temperature 308 °C