SpectraBase Spectrum ID |
7vB01x05MVa |
Name |
1-(1,4,12-Trihexanoyl-1,4,8,12-tetraaza-cyclopentadec-8-yl)-hexan-1-one |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
606.508406617 u |
Formula |
C35H66N4O4 |
InChI |
InChI=1S/C35H66N4O4/c1-5-9-13-20-32(40)36-24-17-25-37(33(41)21-14-10-6-2)27-19-29-39(35(43)23-16-12-8-4)31-30-38(28-18-26-36)34(42)22-15-11-7-3/h5-31H2,1-4H3 |
InChIKey |
WQZAVPRXBSFZCW-UHFFFAOYSA-N |
Molecular Weight |
606.937 g/mol |
SMILES |
C(=O)(CCCCC)N1CCCN(C(CCCCC)=O)CCCN(CCN(CCC1)C(=O)CCCCC)C(CCCCC)=O |