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1-Phenyl-3,6-diazahomoadamantan-9-one

View entire compound with spectra: 1 FTIR

1-Phenyl-3,6-diazahomoadamantan-9-one
SpectraBase Compound ID LMSjQGxaUC4
InChI InChI=1S/C15H18N2O/c18-14-12-8-16-6-7-17(9-12)11-15(14,10-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2/t12-,15+
InChIKey VIFRQWMULUPNKG-JNSHFYNHSA-N
Mol Weight 242.32 g/mol
Molecular Formula C15H18N2O
Exact Mass 242.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 62RJtgnS1xC
Name 1-Phenyl-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 242.141913207 u
Formula C15H18N2O
InChI InChI=1S/C15H18N2O/c18-14-12-8-16-6-7-17(9-12)11-15(14,10-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2/t12-,15+
InChIKey VIFRQWMULUPNKG-JNSHFYNHSA-N
Molecular Weight 242.322 g/mol
SMILES C1N2CCN3C[C@]1(C([C@@](C3)(C2)[H])=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876389