| SpectraBase Spectrum ID |
3jNdGga0W5R |
| Name |
(1-Ethenyl-4-methoxy-9H-pyrido[3,4-B]indol-8-yl) 4-methylbenzenesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.098728238 u |
| Formula |
C21H18N2O4S |
| InChI |
InChI=1S/C21H18N2O4S/c1-4-16-21-19(18(26-3)12-22-16)15-6-5-7-17(20(15)23-21)27-28(24,25)14-10-8-13(2)9-11-14/h4-12,23H,1H2,2-3H3 |
| InChIKey |
ZDMUQQQHOQZGHS-UHFFFAOYSA-N |
| Molecular Weight |
394.445 g/mol |
| SMILES |
C=1(OS(C=2C=CC(=CC2)C)(=O)=O)C=2NC=3C(=NC=C(C3C2C=CC1)OC)C=C |
![(1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate](/api/spectrum/3jNdGga0W5R/structure.png?h=300&w=458 "(1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate")
