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1-Methyl-8-(2-pyridyl)-3,6-diazahomoadamantan-9-one

View entire compound with spectra: 1 FTIR

1-Methyl-8-(2-pyridyl)-3,6-diazahomoadamantan-9-one
SpectraBase Compound ID IYrcpLgDsZ6
InChI InChI=1S/C15H19N3O/c1-14-8-17-6-7-18(9-14)11-15(10-17,13(14)19)12-4-2-3-5-16-12/h2-5H,6-11H2,1H3/t14-,15+
InChIKey KEUZAQNGNVSSJF-GASCZTMLSA-N
Mol Weight 257.34 g/mol
Molecular Formula C15H19N3O
Exact Mass 257.152812 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GURIuDZRHzK
Name 1-Methyl-8-(2-pyridyl)-3,6-diazahomoadamantan-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.152812243 u
Formula C15H19N3O
InChI InChI=1S/C15H19N3O/c1-14-8-17-6-7-18(9-14)11-15(10-17,13(14)19)12-4-2-3-5-16-12/h2-5H,6-11H2,1H3/t14-,15+
InChIKey KEUZAQNGNVSSJF-GASCZTMLSA-N
Molecular Weight 257.337 g/mol
SMILES C1N2CCN3C[C@]1(C([C@@](C3)(C2)C1=CC=CC=N1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885498