| SpectraBase Spectrum ID |
8iQYciNBAcs |
| Name |
8-(Benzyloxy)-2-(chloromethyl)-5,6-dichloroquinoline, complex with hexamethylenetetramine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.104643512 u |
| Formula |
C23H24Cl3N5O |
| InChI |
InChI=1S/C17H12Cl3NO.C6H12N4/c18-9-12-6-7-13-14(19)8-15(20)17(16(13)21-12)22-10-11-4-2-1-3-5-11;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-8H,9-10H2;1-6H2 |
| InChIKey |
FEJICHWMQLVNFC-UHFFFAOYSA-N |
| Molecular Weight |
492.838 g/mol |
| SMILES |
C1(Cl)=CC(Cl)=C(C2=C1C=CC(=N2)CCl)OCC=1C=CC=CC1.C1N2CN3CN1CN(C2)C3 |
