1H--13C heteronuclear single quantum coherence...
URL: https://www.chemotion-repository.net/inchikey/PRPVEMONBUZVKG-LXUBDJQLSA-N/CHMO0001146
Dataset description:
dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n
Source: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
| InChI | InChI=1S/C80H58N4O8/c1-5-89-79(85)53-27-23-51(24-28-53)71-59-35-39-63(81-59)77(91-69-45-33-49-17-9-13-21-57(49)75(69)73-55-19-11-7-15-47(55)31-43-67(73)87-3)65-41-37-61(83-65)72(52-25-29-54(30-26-52)80(86)90-6-2)62-38-42-66(84-62)78(64-40-36-60(71)82-64)92-70-46-34-50-18-10-14-22-58(50)76(70)74-56-20-12-8-16-48(56)32-44-68(74)88-4/h7-46,81,84H,5-6H2,1-4H3/b71-59-,71-60-,72-61-,72-62-,77-63+,77-65+,78-64+,78-66+ |
|---|---|
| SMILES | CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/Oc1ccc4c(c1c1c(OC)ccc5c1cccc5)cccc4)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/Oc1ccc2c(c1c1c(OC)ccc3c1cccc3)cccc2 |
| InChI Key | PRPVEMONBUZVKG-LXUBDJQLSA-N |
| Molecular Formula | C80H58N4O8 |
| Exact Mass | 1203.339 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 | e7ca92e0-506d-496c-88e6-12c07fbe9c7c |
| Package id | 10-14272-prpvemonbuzvkg-lxubdjqlsa-n-chmo0001146 |
| Resource type | HTML |
| State | active |