| SpectraBase Spectrum ID |
1756hdZfsZM |
| Name |
1-[2-Hydroxy-3-(N,N-dihexadecylamino)propyl]-1,4,7,10-tetraazacyclododecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
693.722362569 u |
| Formula |
C43H91N5O |
| InChI |
InChI=1S/C43H91N5O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-47(38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-43(49)42-48-39-35-45-33-31-44-32-34-46-36-40-48/h43-46,49H,3-42H2,1-2H3 |
| InChIKey |
ZJBPIGYEPGOYSH-UHFFFAOYSA-N |
| Molecular Weight |
694.235 g/mol |
| SMILES |
C1N(CCNCCNCCNC1)CC(CN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844113 |
![1-[2-Hydroxy-3-(N,N-dihexadecylamino)propyl]-1,4,7,10-tetraazacyclododecane](/api/spectrum/1756hdZfsZM/structure.png?h=300&w=458 "1-[2-Hydroxy-3-(N,N-dihexadecylamino)propyl]-1,4,7,10-tetraazacyclododecane")
