| SpectraBase Spectrum ID |
5lZiTNOB2NR |
| Name |
1-(2-Phenyl-2-hydroxyethyl)-4-phenyl-2-octylthioimidazole |
| Comments |
Note: The molecular formula of the structure shown is C25H32N2OS - which differs from the formula reported for the mass spectrum (C27H36N2OS) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36N2OS |
| InChI |
InChI=1S/C25H32N2OS/c1-2-3-4-5-6-13-18-29-25-26-23(21-14-9-7-10-15-21)19-27(25)20-24(28)22-16-11-8-12-17-22/h7-12,14-17,19,24,28H,2-6,13,18,20H2,1H3 |
| InChIKey |
AKLLBPGVQKABAU-UHFFFAOYSA-N |
| Molecular Weight |
408.604 g/mol |
| SMILES |
OC(c1ccccc1)C[n]1c(nc(c1)-c1ccccc1)SCCCCCCCC |
| SPLASH |
splash10-004r-0910300000-46a22540f18fd733e744 |
| Source of Spectrum |
SO-0-1616-7 |
| Wiley ID |
876928 |
