13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/JSESGCFTBCUELB-YXGITGLMSA-J/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C48H48N4.4HI/c1-49-25-5-9-37(33-49)13-17-41-29-46-23-24-48-32-43(19-15-39-11-7-27-51(3)35-39)47(31-44(48)20-16-40-12-8-28-52(4)36-40)22-21-45(41)30-42(46)18-14-38-10-6-26-50(2)34-38;;;;/h5-20,25-36H,21-24H2,1-4H3;4*1H/q+4;;;;/p-4/b17-13+,18-14+,19-15+,20-16+;;;; |
|---|---|
| SMILES | C[n+]1cccc(c1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1ccc[n+](c1)C)cc3/C=C/c1ccc[n+](c1)C)/C=C/c1ccc[n+](c1)C.[I-].[I-].[I-].[I-] |
| InChI Key | JSESGCFTBCUELB-YXGITGLMSA-J |
| Molecular Formula | C48H48I4N4 |
| Exact Mass | 1188.539 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 32de486a-fe1a-415d-826a-3c9474b1e633 |
| Package id | 10-14272-jsesgcftbcuelb-yxgitglmsa-j-chmo0000595 |
| Resource type | HTML |
| State | active |