13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/NRDQBPJLNQDPCN-BOPYEVHASA-N/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/C50H30Br8N4O4/c1-3-65-49(63)27-19-15-25(16-20-27)31-45-37(55)33(51)41(59-45)29(23-11-7-5-8-12-23)43-35(53)39(57)47(61-43)32(26-17-21-28(22-18-26)50(64)66-4-2)48-40(58)36(54)44(62-48)30(24-13-9-6-10-14-24)42-34(52)38(56)46(31)60-42/h5-22,59,62H,3-4H2,1-2H3/b41-29-,42-30-,43-29-,44-30-,45-31-,46-31-,47-32-,48-32- |
|---|---|
| SMILES | CCOC(=O)c1ccc(cc1)/C/1=C\2/N=C(C(=C2Br)Br)/C(=c/2\[nH]/c(=C(\C3=N/C(=C(\c4[nH]c1c(Br)c4Br)/c1ccccc1)/C(=C3Br)Br)/c1ccc(cc1)C(=O)OCC)/c(c2Br)Br)/c1ccccc1 |
| InChI Key | NRDQBPJLNQDPCN-BOPYEVHASA-N |
| Molecular Formula | C50H30Br8N4O4 |
| Exact Mass | 1390.030 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 3c8192bf-a12d-4a97-b4c9-a94b6acfe563 |
| Package id | 10-14272-nrdqbpjlnqdpcn-bopyevhasa-n-chmo0000595 |
| Resource type | HTML |
| State | active |