| SpectraBase Spectrum ID |
B9fcEGyo6l4 |
| Name |
N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotridecane |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.199878211 u |
| Formula |
C25H34ClNO2S |
| InChI |
InChI=1S/C25H34ClNO2S/c26-23-15-17-24(18-16-23)30(28,29)25-14-10-5-3-1-2-4-6-11-19-27(21-25)20-22-12-8-7-9-13-22/h7-9,12-13,15-18,25H,1-6,10-11,14,19-21H2 |
| InChIKey |
PDQXEAIYEYMKSF-UHFFFAOYSA-N |
| Molecular Weight |
448.065 g/mol |
| SMILES |
C1(S(C2=CC=C(C=C2)Cl)(=O)=O)CN(CC=2C=CC=CC2)CCCCCCCCCC1 |
