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 |