![2-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium perchlorate](/api/spectrum/7BouUNkWrj5/structure.png?h=300&w=458 "2-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium perchlorate")
| SpectraBase Compound ID | CdMfnRQgvIP |
|---|---|
| InChI | InChI=1S/C40H40ClN2.ClHO4/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;2-1(3,4)5/h7-10,12-13,16-25H,11,14-15H2,1-6H3;(H,2,3,4,5)/q+1;/p-1 |
| InChIKey | QUUNBGLRLXAGFO-UHFFFAOYSA-M |
| Mol Weight | 683.7 g/mol |
| Molecular Formula | C40H40Cl2N2O4 |
| Exact Mass | 682.236513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BouUNkWrj5 |
|---|---|
| Name | 2-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium perchlorate |
| Compound Number | 5F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H40Cl2N2O4 |
| InChI | InChI=1S/C40H40ClN2.ClHO4/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;2-1(3,4)5/h7-10,12-13,16-25H,11,14-15H2,1-6H3;(H,2,3,4,5)/q+1;/p-1 |
| InChIKey | QUUNBGLRLXAGFO-UHFFFAOYSA-M |
| Literature Reference Author | Q.LI,J.TAN,B.X.PENG |
| Literature Reference Citation | MOLECULES,2,91(1997) |
| Literature Reference DOI | 10.3390/20600091 |
| Molecular Weight | 683.675 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN7095 |