SpectraBase Spectrum ID |
46Bed6vxoIx |
Name |
3-[1-Aziridyl]butyraldehyde azine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.184446724 u |
Formula |
C12H22N4 |
InChI |
InChI=1S/C12H22N4/c1-11(15-7-8-15)3-5-13-14-6-4-12(2)16-9-10-16/h5-6,11-12H,3-4,7-10H2,1-2H3/b13-5+,14-6+ |
InChIKey |
UHTHORJQAHGMFL-ACFHMISVSA-N |
Molecular Weight |
222.336 g/mol |
SMILES |
C1N(C(C\C=N\N=C\CC(N2CC2)C)C)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815666 |