| SpectraBase Spectrum ID |
JQf97JsiDSh |
| Name |
N-[2-[(6-Aminohexyl)amino]-5-isopropyl-2,4,6-cycloheptatrien-1-ylidene]-1,6-hexanediamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.325297304 u |
| Formula |
C22H40N4 |
| InChI |
InChI=1S/C22H40N4/c1-19(2)20-11-13-21(25-17-9-5-3-7-15-23)22(14-12-20)26-18-10-6-4-8-16-24/h11-14,19H,3-10,15-18,23-24H2,1-2H3,(H,25,26) |
| InChIKey |
PRGXWLNGEHBTPE-UHFFFAOYSA-N |
| Molecular Weight |
360.590 g/mol |
| SMILES |
C1(=CC=C(NCCCCCCN)\C(C=C1)=N/CCCCCCN)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956533 |
![N-[2-[(6-Aminohexyl)amino]-5-isopropyl-2,4,6-cycloheptatrien-1-ylidene]-1,6-hexanediamine](/api/spectrum/JQf97JsiDSh/structure.png?h=300&w=458 "N-[2-[(6-Aminohexyl)amino]-5-isopropyl-2,4,6-cycloheptatrien-1-ylidene]-1,6-hexanediamine")
