| SpectraBase Spectrum ID |
2kefKjeleQi |
| Name |
1-(4-Chlorophenyl)-N-(2-(2,5-dimethoxy-4-((2-methylpropyl)thio)phenyl)ethyl)methanimine |
| Classification |
Designer drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
391.137277953 u |
| Formula |
C21H26ClNO2S |
| InChI |
InChI=1S/C21H26ClNO2S/c1-15(2)14-26-21-12-19(24-3)17(11-20(21)25-4)9-10-23-13-16-5-7-18(22)8-6-16/h5-8,11-13,15H,9-10,14H2,1-4H3/b23-13+ |
| InChIKey |
HRCAHKFOITVOBB-YDZHTSKRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
391.957 g/mol |
| Nominal Mass |
391 u |
| Quality |
933 |
| Retention Index |
2829 |
| SMILES |
C=1(C(=CC(=C(C1)OC)SCC(C)C)OC)CC\N=C\C=1C=CC(=CC1)Cl |
| SPLASH |
splash10-000i-3973000000-19a5b12bcbfd06f3a067 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4-chlorophenyl)-N-(2-(2,5-dimethoxy-4-((2-methylpropyl)sulfanyl)phenyl)ethyl)methanimine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_020639 |
