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5-Methyl-7-(2-pirydyl)-1,3-diazaadamantan-6-one

View entire compound with spectra: 1 FTIR

5-Methyl-7-(2-pirydyl)-1,3-diazaadamantan-6-one
SpectraBase Compound ID 6rne9z3ksdY
InChI InChI=1S/C14H17N3O/c1-13-6-16-8-14(12(13)18,9-17(7-13)10-16)11-4-2-3-5-15-11/h2-5H,6-10H2,1H3/t13-,14+
InChIKey UBTCNQOBEKFROI-OKILXGFUSA-N
Mol Weight 243.31 g/mol
Molecular Formula C14H17N3O
Exact Mass 243.137162 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EQvwBRb0r75
Name 5-Methyl-7-(2-pirydyl)-1,3-diazaadamantan-6-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.137162178 u
Formula C14H17N3O
InChI InChI=1S/C14H17N3O/c1-13-6-16-8-14(12(13)18,9-17(7-13)10-16)11-4-2-3-5-15-11/h2-5H,6-10H2,1H3/t13-,14+
InChIKey UBTCNQOBEKFROI-OKILXGFUSA-N
Molecular Weight 243.310 g/mol
SMILES C1N2C[C@]3(CN1C[C@](C2)(C)C3=O)C1=CC=CC=N1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856597