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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-3-[(2-chlorophenoxy)methyl]benzamide
SpectraBase Compound ID JWPN1EDdp7
InChI InChI=1S/C27H28ClN3O2/c28-23-6-1-2-7-24(23)33-17-18-4-3-5-22(13-18)26(32)29-25-8-9-31(30-25)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,13,19-21H,10-12,14-17H2,(H,29,30,32)
InChIKey KEFKMUHNRBSECV-UHFFFAOYSA-N
Mol Weight 461.99 g/mol
Molecular Formula C27H28ClN3O2
Exact Mass 461.187005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2tnJ1AoY203
Name N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-3-[(2-chlorophenoxy)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/C27H28ClN3O2/c28-23-6-1-2-7-24(23)33-17-18-4-3-5-22(13-18)26(32)29-25-8-9-31(30-25)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,13,19-21H,10-12,14-17H2,(H,29,30,32)
InChIKey KEFKMUHNRBSECV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11046
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/1019931; Labnumber: MVY0188; UZI_ID: UZI-011048
Temperature 308 °C