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N-(1-adamantyl)-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
SpectraBase Compound ID HQ2IL6rSDB4
InChI InChI=1S/C23H28BrN3O/c1-14-21(24)15(2)27(26-14)13-16-4-3-5-20(9-16)22(28)25-23-10-17-6-18(11-23)8-19(7-17)12-23/h3-5,9,17-19H,6-8,10-13H2,1-2H3,(H,25,28)/t17-,18+,19-,23-
InChIKey OTOOVFDIROSTTJ-CDIPDJBESA-N
Mol Weight 442.4 g/mol
Molecular Formula C23H28BrN3O
Exact Mass 441.141576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BOWo8s8Pwve
Name N-(1-adamantyl)-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
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/C23H28BrN3O/c1-14-21(24)15(2)27(26-14)13-16-4-3-5-20(9-16)22(28)25-23-10-17-6-18(11-23)8-19(7-17)12-23/h3-5,9,17-19H,6-8,10-13H2,1-2H3,(H,25,28)/t17-,18+,19-,23-
InChIKey OTOOVFDIROSTTJ-CDIPDJBESA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5310
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/8149741; UBI_ID: UBI-005312
Temperature 313 °C