1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/KPHBFVLSKULOLH-UHFFFAOYSA-L/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C50H46N2.2BrH/c1-5-39-6-2-37(1)9-11-41-19-23-45(21-17-39)49(33-41)47-25-29-51(30-26-47)35-43-13-15-44(16-14-43)36-52-31-27-48(28-32-52)50-34-42-12-10-38-3-7-40(8-4-38)18-22-46(50)24-20-42;;/h1-8,13-16,19-20,23-34H,9-12,17-18,21-22,35-36H2;2*1H/q+2;;/p-2 |
|---|---|
| SMILES | c1cc(ccc1C[n+]1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1)C[n+]1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1.[Br-].[Br-] |
| InChI Key | KPHBFVLSKULOLH-UHFFFAOYSA-L |
| Molecular Formula | C50H46Br2N2 |
| Exact Mass | 834.722 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 | 9779dbc5-f31c-4ccf-b437-34699134b08e |
| Package id | 10-14272-kphbfvlskulolh-uhfffaoysa-l-chmo0000593 |
| Resource type | HTML |
| State | active |