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N-(1-adamantyl)-N'-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]urea
SpectraBase Compound ID 2oACoE6XBLd
InChI InChI=1S/C29H34N4O2/c1-19-27(30-28(34)31-29-15-22-11-23(16-29)13-24(12-22)17-29)20(2)33(32-19)18-21-7-6-10-26(14-21)35-25-8-4-3-5-9-25/h3-10,14,22-24H,11-13,15-18H2,1-2H3,(H2,30,31,34)/t22-,23+,24-,29-
InChIKey QVHZBVVJFIQHBX-NPRVLBGXSA-N
Mol Weight 470.6 g/mol
Molecular Formula C29H34N4O2
Exact Mass 470.268176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6RaPu2azeR6
Name N-(1-adamantyl)-N'-[3,5-dimethyl-1-(3-phenoxybenzyl)-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/C29H34N4O2/c1-19-27(30-28(34)31-29-15-22-11-23(16-29)13-24(12-22)17-29)20(2)33(32-19)18-21-7-6-10-26(14-21)35-25-8-4-3-5-9-25/h3-10,14,22-24H,11-13,15-18H2,1-2H3,(H2,30,31,34)/t22-,23+,24-,29-
InChIKey QVHZBVVJFIQHBX-NPRVLBGXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19153
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/9136445; UBI_ID: UBI-019156
Temperature 318 °C