| SpectraBase Spectrum ID |
8XRlN5MUsN9 |
| Name |
Phenol, 4-bromo-2-[(E)-[[4-(6-methyl-2-benzothiazolyl)phenyl]imino]methyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.008847284 u |
| Formula |
C21H15BrN2OS |
| InChI |
InChI=1S/C21H15BrN2OS/c1-13-2-8-18-20(10-13)26-21(24-18)14-3-6-17(7-4-14)23-12-15-11-16(22)5-9-19(15)25/h2-12,25H,1H3/b23-12+ |
| InChIKey |
NWQXEQPXUPRMCX-FSJBWODESA-N |
| Molecular Weight |
423.328 g/mol |
| SMILES |
OC1=C(\C=N\C=2C=CC(C3=NC=4C=CC(=CC4S3)C)=CC2)C=C(C=C1)Br |