| SpectraBase Spectrum ID |
Hv0GwyOIwV7 |
| Name |
(1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H15N3O4S |
| InChI |
InChI=1S/C20H15N3O4S/c1-12-6-8-13(9-7-12)28(24,25)27-16-5-3-4-14-18-17(26-2)11-22-15(10-21)20(18)23-19(14)16/h3-9,11,23H,1-2H3 |
| InChIKey |
FSIVEKFATGLXMD-UHFFFAOYSA-N |
| Molecular Weight |
393.417 g/mol |
| SMILES |
[nH]1c2c(c3c(cnc(c13)C#N)OC)cccc2OS(c1ccc(cc1)C)(=O)=O |
| SPLASH |
splash10-000l-0095000000-31c1a8cef70188e2ee1f |
| Source of Spectrum |
KC-0-1721-17 |
| Synonyms |
4-methylbenzenesulfonic acid (1-cyano-4-methoxy-9H-$b-carbolin-8-yl) ester
4-methylbenzenesulfonic acid (1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) ester |
| Wiley ID |
828478 |
![(1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate](/api/spectrum/Hv0GwyOIwV7/structure.png?h=300&w=458 "(1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate")
