heteronuclear multiple bond coherence (HMBC)
URL: https://www.chemotion-repository.net/inchikey/BVKRGULQAWQNAW-UHFFFAOYSA-N/CHMO0000601
Dataset description:
dataset for heteronuclear multiple bond coherence (HMBC)\n\n
Chemical Info
| InChI | InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3 |
|---|---|
| SMILES | Brc1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C |
| InChI Key | BVKRGULQAWQNAW-UHFFFAOYSA-N |
| Molecular Formula | C49H36BrN5 |
| Exact Mass | 774.748 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 29, 2025 |
| Metadata last updated | January 29, 2025 |
| Created | January 29, 2025 |
| Format | HTML |
| License | No License Provided |
| Id | e27196a1-8b83-48c0-aa0d-43569a13ea3b |
| Package id | 10-14272-bvkrgulqawqnaw-uhfffaoysa-n-chmo0000601 |
| Resource type | HTML |
| State | active |