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N'-[(Z)-(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]-1-adamantanecarbohydrazide
SpectraBase Compound ID 38ZRrRDcf2m
InChI InChI=1S/C22H24N4O4/c27-18-17(19(28)26(21(30)24-18)16-4-2-1-3-5-16)12-23-25-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,12-15,23H,6-11H2,(H,25,29)(H,24,27,30)/b17-12-/t13-,14+,15-,22-
InChIKey PTCAULWXGJQBFM-ZZMBVTGFSA-N
Mol Weight 408.46 g/mol
Molecular Formula C22H24N4O4
Exact Mass 408.179755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QLghKIDmcY
Name N'-[(Z)-(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]-1-adamantanecarbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.179755265 u
Formula C22H24N4O4
InChI InChI=1S/C22H24N4O4/c27-18-17(19(28)26(21(30)24-18)16-4-2-1-3-5-16)12-23-25-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,12-15,23H,6-11H2,(H,25,29)(H,24,27,30)/b17-12-/t13-,14+,15-,22-
InChIKey PTCAULWXGJQBFM-ZZMBVTGFSA-N
Molecular Weight 408.458 g/mol
SMILES N1C(\C(=C\NNC(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)C(N(C1=O)C1=CC=CC=C1)=O)=O