| SpectraBase Spectrum ID |
9Hsf29hQ57f |
| Name |
2,3-Dihydro-1,6-dimethyl-9-methoxycarbonyl-4-trifluoromethyl-1H-pyrrolo[2,3-g]isoquinolin-6-ium perchlorate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16ClF3N2O6 |
| InChI |
InChI=1S/C16H16F3N2O2.ClHO4/c1-20-6-4-9-11(8-20)13(16(17,18)19)10-5-7-21(2)14(10)12(9)15(22)23-3;2-1(3,4)5/h4,6,8H,5,7H2,1-3H3;(H,2,3,4,5)/q+1;/p-1 |
| InChIKey |
YCNPYYGLMJUGAS-UHFFFAOYSA-M |
| Molecular Weight |
424.760 g/mol |
| SMILES |
[Cl]([O-])(=O)(=O)=O.c1(c2c(CCN2C)c(c2c1cc[n+](C)c2)C(F)(F)F)C(=O)OC |
| SPLASH |
splash10-00di-0039000000-6dc637b108c0b9445b26 |
| Source of Spectrum |
H1-38-1856-13 |
| Synonyms |
9-(methoxycarbonyl)-1,6-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-ium perchlorate |
| Wiley ID |
756513 |
![2,3-Dihydro-1,6-dimethyl-9-methoxycarbonyl-4-trifluoromethyl-1H-pyrrolo[2,3-g]isoquinolin-6-ium perchlorate](/api/spectrum/9Hsf29hQ57f/structure.png?h=300&w=458 "2,3-Dihydro-1,6-dimethyl-9-methoxycarbonyl-4-trifluoromethyl-1H-pyrrolo[2,3-g]isoquinolin-6-ium perchlorate")
