| SpectraBase Spectrum ID |
1LThMhAFyAh |
| Name |
2,3,6,10,11-Pentamethyl-8H-pyridazino[1',6':1,2]pyrido[4,3-b]indol-5-nium mesitylenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H31N3O3S |
| InChI |
InChI=1S/C19H19N3.C9H12O3S/c1-10-6-15-16(7-11(10)2)20-17-9-13(4)22-18(19(15)17)8-12(3)14(5)21-22;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h6-9H,1-5H3;4-5H,1-3H3,(H,10,11,12) |
| InChIKey |
DLINCGCWTIGQBU-UHFFFAOYSA-N |
| Molecular Weight |
489.634 g/mol |
| SMILES |
c1(S([O-])(=O)=O)c(cc(cc1C)C)C.[nH]1c2c(c3c4[n+](c(cc13)C)nc(c(c4)C)C)cc(c(c2)C)C |
| SPLASH |
splash10-014l-0690000000-14e6b67d7fcc5fa78d52 |
| Source of Spectrum |
J-64-3913-3 |
| Wiley ID |
1530208 |
![2,3,6,10,11-Pentamethyl-8H-pyridazino[1',6':1,2]pyrido[4,3-b]indol-5-nium mesitylenesulfonate](/api/spectrum/1LThMhAFyAh/structure.png?h=300&w=458 "2,3,6,10,11-Pentamethyl-8H-pyridazino[1',6':1,2]pyrido[4,3-b]indol-5-nium mesitylenesulfonate")
