SpectraBase Spectrum ID |
BeLPUbKwQcr |
Name |
N-Cyclohexyl-4-methyl-1-piperazinecarboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.184112372 u |
Formula |
C12H23N3O |
InChI |
InChI=1S/C12H23N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,13,16) |
InChIKey |
XTJXGCZFAUCOBU-UHFFFAOYSA-N |
Molecular Weight |
225.336 g/mol |
SMILES |
C1N(CCN(C1)C(=O)NC1CCCCC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918806 |