| SpectraBase Spectrum ID |
3LYdjipNirr |
| Name |
2,3-Diethyl-6-methyl-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/c1-4-13-11-18-19-14-8-6-7-9-16(14)20-17(19)10-12(3)22(18)21-15(13)5-2;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h6-11H,4-5H2,1-3H3;4-5H,1-3H3,(H,10,11,12) |
| InChIKey |
WRTVAMHYWQJDAB-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)CC)CC)cccc2 |
| SPLASH |
splash10-000i-0090000000-54d1feef56c203dbbd36 |
| Source of Spectrum |
J-64-3914-3 |
| Wiley ID |
1530206 |
![2,3-Diethyl-6-methyl-8H-pyridazino[1',6':1,2]pyrido[4,3-b]indol-5-nium mesitylenesulfonate](/api/spectrum/3LYdjipNirr/structure.png?h=300&w=458 "2,3-Diethyl-6-methyl-8H-pyridazino[1',6':1,2]pyrido[4,3-b]indol-5-nium mesitylenesulfonate")
