13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/NBCOVCGBTURKLD-IKEUXFGVSA-J/CHMO0000595.1
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/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;; |
|---|---|
| SMILES | C[n+]1ccc(cc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1cc[n+](cc1)C)cc3/C=C/c1cc[n+](cc1)C)/C=C/c1cc[n+](cc1)C.[I-].[I-].[I-].[I-] |
| InChI Key | NBCOVCGBTURKLD-IKEUXFGVSA-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 | 4c6ae1c8-3609-4070-ba4c-f7e5e302e352 |
| Package id | 10-14272-nbcovcgbturkld-ikeuxfgvsa-j-chmo0000595-1 |
| Resource type | HTML |
| State | active |