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N-(1-adamantyl)-N'-[3,5-dimethyl-1-(1-naphthylmethyl)-1H-pyrazol-4-yl]urea
SpectraBase Compound ID KCYsRXOYUMf
InChI InChI=1S/C27H32N4O/c1-17-25(28-26(32)29-27-13-19-10-20(14-27)12-21(11-19)15-27)18(2)31(30-17)16-23-8-5-7-22-6-3-4-9-24(22)23/h3-9,19-21H,10-16H2,1-2H3,(H2,28,29,32)/t19-,20+,21-,27-
InChIKey DXBKEMYRJGGZIQ-PHWDIDRRSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H32N4O
Exact Mass 428.257612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KXnj30IYPqc
Name N-(1-adamantyl)-N'-[3,5-dimethyl-1-(1-naphthylmethyl)-1H-pyrazol-4-yl]urea
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/C27H32N4O/c1-17-25(28-26(32)29-27-13-19-10-20(14-27)12-21(11-19)15-27)18(2)31(30-17)16-23-8-5-7-22-6-3-4-9-24(22)23/h3-9,19-21H,10-16H2,1-2H3,(H2,28,29,32)/t19-,20+,21-,27-
InChIKey DXBKEMYRJGGZIQ-PHWDIDRRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20528
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/9181425; UBI_ID: UBI-020532
Temperature 318 °C