13C nuclear magnetic resonance spectroscopy...
URL: https://doi.org/10.14272/UDQXKIJWNFBTCY-HSBKYFPUSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C61H50F2N6O/c1-3-4-5-6-7-16-35-70-61-56(66-52-21-14-15-22-53(52)69-61)34-33-55-54(67-59-37-47(41-17-10-8-11-18-41)48(38-60(59)68-55)42-19-12-9-13-20-42)32-31-51-40(2)64-57-36-49(43-23-27-45(62)28-24-43)50(39-58(57)65-51)44-25-29-46(63)30-26-44/h8-15,17-34,36-39H,3-7,16,35H2,1-2H3/b32-31+,34-33+ |
|---|---|
| SMILES | CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(-c3ccccc3)c(-c3ccccc3)cc2nc1/C=C/c1nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2nc1C |
| InChI Key | UDQXKIJWNFBTCY-HSBKYFPUSA-N |
| Molecular Formula | C61H50F2N6O |
| Exact Mass | 921.108 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | unknown |
| Metadata last updated | October 6, 2022 |
| Created | unknown |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Created | 2 years ago |
| Id | 1ffeb2dc-f02b-4467-8a24-4d8596035984 |
| Package id | 10-14272-udqxkijwnfbtcy-hsbkyfpusa-n-chmo0000595 |
| Resource type | HTML |
| State | active |