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methyl 4-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
SpectraBase Compound ID CRDl4Cc75Cu
InChI InChI=1S/C21H24N4O3/c1-28-18(26)16-2-4-17(5-3-16)24-19(27)20-7-14-6-15(8-20)10-21(9-14,11-20)25-13-22-12-23-25/h2-5,12-15H,6-11H2,1H3,(H,24,27)
InChIKey XZKVHGVWRXUNMN-UHFFFAOYSA-N
Mol Weight 380.45 g/mol
Molecular Formula C21H24N4O3
Exact Mass 380.184841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9uVO7K939Ym
Name methyl 4-({[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/C21H24N4O3/c1-28-18(26)16-2-4-17(5-3-16)24-19(27)20-7-14-6-15(8-20)10-21(9-14,11-20)25-13-22-12-23-25/h2-5,12-15H,6-11H2,1H3,(H,24,27)
InChIKey XZKVHGVWRXUNMN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3383
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/9149967; Labnumber: BAC_UAMK/009392; UZI_ID: UZI-003385
Temperature 308 °C