13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/CNOUBQRDWLQFIY-WMNDHARXSA-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/C79H56N8O5/c1-79(2,3)92-77(88)61(81-78(89)90-46-60-49-26-6-4-24-47(49)48-25-5-7-27-50(48)60)44-70-82-83-76(91-70)71-72(84-62-36-16-8-28-51(62)52-29-9-17-37-63(52)84)59(45-80)73(85-64-38-18-10-30-53(64)54-31-11-19-39-65(54)85)75(87-68-42-22-14-34-57(68)58-35-15-23-43-69(58)87)74(71)86-66-40-20-12-32-55(66)56-33-13-21-41-67(56)86/h4-43,60-61H,44,46H2,1-3H3,(H,81,89) |
|---|---|
| SMILES | N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2 |
| InChI Key | CNOUBQRDWLQFIY-WMNDHARXSA-N |
| Molecular Formula | C79H56N8O5 |
| Exact Mass | 1197.341 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 | b64c47c5-d73f-4e2f-bd8e-cec4ed9241d0 |
| Package id | 10-14272-cnoubqrdwlqfiy-wmndharxsa-n-chmo0000595 |
| Resource type | HTML |
| State | active |