13C nuclear magnetic resonance spectroscopy...
URL: https://doi.org/10.14272/QVGHOFCXDAFLBK-MDZDMXLPSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C31H17F17N4O3/c32-24(33,25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48)11-14-13-54-23(55-14)22-20(50-17-7-3-4-8-18(17)52-22)10-9-19-21(12-53)51-16-6-2-1-5-15(16)49-19/h1-10,12,14,23H,11,13H2/b10-9+ |
|---|---|
| SMILES | O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1 |
| InChI Key | QVGHOFCXDAFLBK-MDZDMXLPSA-N |
| Molecular Formula | C31H17F17N4O3 |
| Exact Mass | 816.468 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 | 06fc353c-c9c5-4076-95d6-8ec5cc3b48c8 |
| Package id | 10-14272-qvghofcxdaflbk-mdzdmxlpsa-n-chmo0000595 |
| Resource type | HTML |
| State | active |