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4-[1-Adamantyl]semicarbazome 2-acetylpyridine

View entire compound with spectra: 1 NMR, and 1 FTIR

4-[1-Adamantyl]semicarbazome 2-acetylpyridine
SpectraBase Compound ID BewCvqQcOaN
InChI InChI=1S/C18H24N4O/c1-12(16-4-2-3-5-19-16)21-22-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H2,20,22,23)/b21-12+
InChIKey VZPBTNBRBWMJQI-CIAFOILYSA-N
Mol Weight 312.42 g/mol
Molecular Formula C18H24N4O
Exact Mass 312.195011 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KeDHORzGfC9
Name 4-[1-Adamantyl]semicarbazome 2-acetylpyridine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.195011408 u
Formula C18H24N4O
InChI InChI=1S/C18H24N4O/c1-12(16-4-2-3-5-19-16)21-22-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H2,20,22,23)/b21-12+
InChIKey VZPBTNBRBWMJQI-CIAFOILYSA-N
Molecular Weight 312.417 g/mol
SMILES C\C(=N/NC(NC12CC3CC(C2)CC(C1)C3)=O)C1=CC=CC=N1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801668