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N-(1-adamantyl)-N'-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]urea

View entire compound with spectra: 2 NMR

N-(1-adamantyl)-N'-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]urea
SpectraBase Compound ID 3NIe9cstkM4
InChI InChI=1S/C24H32N4O/c1-15-4-6-18(7-5-15)14-28-17(3)22(16(2)27-28)25-23(29)26-24-11-19-8-20(12-24)10-21(9-19)13-24/h4-7,19-21H,8-14H2,1-3H3,(H2,25,26,29)/t19-,20+,21-,24-
InChIKey NYLGCBYWFHWQHR-JCJYRYBFSA-N
Mol Weight 392.5 g/mol
Molecular Formula C24H32N4O
Exact Mass 392.257612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gk6b3SfL3r
Name N-(1-Adamantyl)-N'-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.257611665 u
Formula C24H32N4O
InChI InChI=1S/C24H32N4O/c1-15-4-6-18(7-5-15)14-28-17(3)22(16(2)27-28)25-23(29)26-24-11-19-8-20(12-24)10-21(9-19)13-24/h4-7,19-21H,8-14H2,1-3H3,(H2,25,26,29)/t19-,20+,21-,24-
InChIKey NYLGCBYWFHWQHR-JCJYRYBFSA-N
Molecular Weight 392.547 g/mol
SMILES N(C(=O)NC1=C(N(N=C1C)CC=1C=CC(C)=CC1)C)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]