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methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
SpectraBase Compound ID 6bYnJba1MZg
InChI InChI=1S/C23H28N4O5/c1-30-18-5-16(20(28)32-3)17(6-19(18)31-2)26-21(29)22-7-14-4-15(8-22)10-23(9-14,11-22)27-13-24-12-25-27/h5-6,12-15H,4,7-11H2,1-3H3,(H,26,29)
InChIKey XGLJEPDXEVQGDL-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C23H28N4O5
Exact Mass 440.20597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ShxofSFpBD
Name methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
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/C23H28N4O5/c1-30-18-5-16(20(28)32-3)17(6-19(18)31-2)26-21(29)22-7-14-4-15(8-22)10-23(9-14,11-22)27-13-24-12-25-27/h5-6,12-15H,4,7-11H2,1-3H3,(H,26,29)
InChIKey XGLJEPDXEVQGDL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18915
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/9131403; UBI_ID: UBI-018918
Temperature 308 °C