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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-3-[(3-bromophenoxy)methyl]benzamide
SpectraBase Compound ID BHeySZTUN4k
InChI InChI=1S/C27H28BrN3O2/c28-23-5-2-6-24(13-23)33-17-18-3-1-4-22(12-18)26(32)29-25-7-8-31(30-25)27-14-19-9-20(15-27)11-21(10-19)16-27/h1-8,12-13,19-21H,9-11,14-17H2,(H,29,30,32)/t19-,20+,21-,27-
InChIKey BHDSODQZPFAZNY-PHWDIDRRSA-N
Mol Weight 506.44 g/mol
Molecular Formula C27H28BrN3O2
Exact Mass 505.13649 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JRKdRjhOsvf
Name N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-3-[(3-bromophenoxy)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/C27H28BrN3O2/c28-23-5-2-6-24(13-23)33-17-18-3-1-4-22(12-18)26(32)29-25-7-8-31(30-25)27-14-19-9-20(15-27)11-21(10-19)16-27/h1-8,12-13,19-21H,9-11,14-17H2,(H,29,30,32)/t19-,20+,21-,27-
InChIKey BHDSODQZPFAZNY-PHWDIDRRSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10321
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/1015001; Labnumber: KMB0147; UZI_ID: UZI-010323
Temperature 308 °C