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3,9-Diazabicyclo[4.2.1]nonan-4-one, 3-ethyl-9-methyl-
SpectraBase Compound ID 9XF34BTm5PZ
InChI InChI=1S/C10H18N2O/c1-3-12-7-9-5-4-8(11(9)2)6-10(12)13/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKey XECFPKLAZCAOMX-BDAKNGLRSA-N
Mol Weight 182.27 g/mol
Molecular Formula C10H18N2O
Exact Mass 182.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LBfLaWvBX5q
Name 3,9-Diazabicyclo[4.2.1]nonan-4-one, 3-ethyl-9-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.141913207 u
Formula C10H18N2O
InChI InChI=1S/C10H18N2O/c1-3-12-7-9-5-4-8(11(9)2)6-10(12)13/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKey XECFPKLAZCAOMX-BDAKNGLRSA-N
Molecular Weight 182.267 g/mol
SMILES CCN1C(=O)C[C@@]2(N(C)[C@](C1)(CC2)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811677