13C nuclear magnetic resonance spectroscopy...
URL: https://doi.org/10.14272/RXWYWMJYBWVIPF-MDZDMXLPSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C29H15F17N4O2/c30-22(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)11-12-52-21-19(48-16-7-3-4-8-17(16)50-21)10-9-18-20(13-51)49-15-6-2-1-5-14(15)47-18/h1-10,13H,11-12H2/b10-9+ |
|---|---|
| SMILES | O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChI Key | RXWYWMJYBWVIPF-MDZDMXLPSA-N |
| Molecular Formula | C29H15F17N4O2 |
| Exact Mass | 774.431 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 | e5c5395d-a26c-4f2c-af9a-7d350d2f9966 |
| Package id | 10-14272-rxwywmjybwvipf-mdzdmxlpsa-n-chmo0000595 |
| Resource type | HTML |
| State | active |