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N~5~-(2-adamantyl)-N~3~,N~3~-diethyl-1-methyl-1H-pyrazole-3,5-dicarboxamide

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N~5~-(2-adamantyl)-N~3~,N~3~-diethyl-1-methyl-1H-pyrazole-3,5-dicarboxamide
SpectraBase Compound ID 2k8XN7RFafA
InChI InChI=1S/C20H30N4O2/c1-4-24(5-2)20(26)16-11-17(23(3)22-16)19(25)21-18-14-7-12-6-13(9-14)10-15(18)8-12/h11-15,18H,4-10H2,1-3H3,(H,21,25)
InChIKey IWRTZKDLEPEEOH-UHFFFAOYSA-N
Mol Weight 358.49 g/mol
Molecular Formula C20H30N4O2
Exact Mass 358.236876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNx0WjhwGyr
Name N~5~-(2-Adamantyl)-N~3~,N~3~-diethyl-1-methyl-1H-pyrazole-3,5-dicarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.236876220 u
Formula C20H30N4O2
InChI InChI=1S/C20H30N4O2/c1-4-24(5-2)20(26)16-11-17(23(3)22-16)19(25)21-18-14-7-12-6-13(9-14)10-15(18)8-12/h11-15,18H,4-10H2,1-3H3,(H,21,25)
InChIKey IWRTZKDLEPEEOH-UHFFFAOYSA-N
Molecular Weight 358.486 g/mol
SMILES N(C(C1=CC(=NN1C)C(N(CC)CC)=O)=O)C1C2CC3CC1CC(C2)C3