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1-Methyl-8-propyl-3,6-diazahomoadamantan-9-one

View entire compound with spectra: 1 FTIR

1-Methyl-8-propyl-3,6-diazahomoadamantan-9-one
SpectraBase Compound ID 8xDneqeOTG5
InChI InChI=1S/C13H22N2O/c1-3-4-13-9-14-5-6-15(10-13)8-12(2,7-14)11(13)16/h3-10H2,1-2H3/t12-,13+
InChIKey UVOMFLYTLLRWTO-BETUJISGSA-N
Mol Weight 222.33 g/mol
Molecular Formula C13H22N2O
Exact Mass 222.173213 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JwJAs5cnHo
Name 1-Methyl-8-propyl-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 222.173213335 u
Formula C13H22N2O
InChI InChI=1S/C13H22N2O/c1-3-4-13-9-14-5-6-15(10-13)8-12(2,7-14)11(13)16/h3-10H2,1-2H3/t12-,13+
InChIKey UVOMFLYTLLRWTO-BETUJISGSA-N
Molecular Weight 222.332 g/mol
SMILES C1N2CCN3C[C@]1(C([C@@](C3)(C2)CCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834582