| SpectraBase Spectrum ID |
EEQPaseDC0A |
| Name |
1-(3-Bromophenyl)-N-(2-(2,5-dimethoxy-4-((2-methylpropyl)thio)phenyl)ethyl)methanimine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.086763253 u |
| Formula |
C21H26BrNO2S |
| InChI |
InChI=1S/C21H26BrNO2S/c1-15(2)14-26-21-12-19(24-3)17(11-20(21)25-4)8-9-23-13-16-6-5-7-18(22)10-16/h5-7,10-13,15H,8-9,14H2,1-4H3/b23-13+ |
| InChIKey |
PQTYEGNTYRGSNG-YDZHTSKRSA-N |
| Molecular Weight |
436.408 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)CC\N=C\C=1C=C(C=CC1)Br)OC)SCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887847 |
