SpectraBase Spectrum ID |
ELz2WoeCDPz |
Name |
8-[2-[N-Aziridyl]ethyl]amino-2,6-dimethyl-2,6-octadiene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.209598845 u |
Formula |
C14H26N2 |
InChI |
InChI=1S/C14H26N2/c1-13(2)5-4-6-14(3)7-8-15-9-10-16-11-12-16/h5,7,15H,4,6,8-12H2,1-3H3/b14-7+ |
InChIKey |
NRGHRTUMSZNQID-VGOFMYFVSA-N |
Molecular Weight |
222.376 g/mol |
SMILES |
C1CN1CCNC\C=C/(C)CCC=C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916656 |