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1,5-Dimethyl-3,7-bis-(3-methylbutyryl)-3,7-diazabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID KsqMsWmQHiB
InChI InChI=1S/C19H32N2O3/c1-13(2)7-15(22)20-9-18(5)11-21(16(23)8-14(3)4)12-19(6,10-20)17(18)24/h13-14H,7-12H2,1-6H3
InChIKey RFCOKWVZBPUHNE-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C19H32N2O3
Exact Mass 336.241293 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jw6Cs52Y4mK
Name 1,5-Dimethyl-3,7-bis-(3-methylbutyryl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.241292895 u
Formula C19H32N2O3
InChI InChI=1S/C19H32N2O3/c1-13(2)7-15(22)20-9-18(5)11-21(16(23)8-14(3)4)12-19(6,10-20)17(18)24/h13-14H,7-12H2,1-6H3
InChIKey RFCOKWVZBPUHNE-UHFFFAOYSA-N
Molecular Weight 336.476 g/mol
SMILES C1N(CC2(CN(CC1(C2=O)C)C(CC(C)C)=O)C)C(CC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977287