SpectraBase Spectrum ID |
DTZ98XS2LIh |
Name |
2-(2,2-Dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
306.230728212 u |
Formula |
C18H30N2O2 |
InChI |
InChI=1S/C18H30N2O2/c1-5-18-11-19-9-17(4,15(18)21)10-20(12-18)14(19)13-6-7-22-16(2,3)8-13/h13-14H,5-12H2,1-4H3/t13?,14-,17-,18+ |
InChIKey |
FAIWTICMJBTPRQ-VFTKKTIHSA-N |
Molecular Weight |
306.450 g/mol |
SMILES |
[C@]1(N2C[C@]3(CN1C[C@](CC)(C3=O)C2)C)(C1CCOC(C1)(C)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868266 |