SpectraBase Spectrum ID |
8pcLgMV3KKM |
Name |
1-[N,N'-bis(2,6-Diethylphenyl)amidino]aziridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
349.251798010 u |
Formula |
C23H31N3 |
InChI |
InChI=1S/C23H31N3/c1-5-17-11-9-12-18(6-2)21(17)24-23(26-15-16-26)25-22-19(7-3)13-10-14-20(22)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,24,25) |
InChIKey |
KXRWTOJBJCJLJG-UHFFFAOYSA-N |
Molecular Weight |
349.522 g/mol |
SMILES |
CCC1=C(C(CC)=CC=C1)N\C(N1CC1)=N\C1=C(CC)C=CC=C1CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842191 |