SpectraBase Spectrum ID |
Ixv7RYpG0uX |
Name |
1-(1-Adamantylcarbonyl)-4-ethylpiperazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.220163529 u |
Formula |
C17H28N2O |
InChI |
InChI=1S/C17H28N2O/c1-2-18-3-5-19(6-4-18)16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3 |
InChIKey |
XOWWNQSYPPTVEH-UHFFFAOYSA-N |
SMILES |
C1N(CCN(C1)C(=O)C12CC3CC(C2)CC(C1)C3)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940098 |