SpectraBase Spectrum ID |
DB4aSZobXdy |
Name |
2,2'-Heptamethylene-di-2-imidazoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.200096789 u |
Formula |
C13H24N4 |
InChI |
InChI=1S/C13H24N4/c1(2-4-6-12-14-8-9-15-12)3-5-7-13-16-10-11-17-13/h1-11H2,(H,14,15)(H,16,17) |
InChIKey |
PLENCHGDPWLTAX-UHFFFAOYSA-N |
Molecular Weight |
236.363 g/mol |
SMILES |
C=1(NCCN1)CCCCCCCC=1NCCN1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929566 |