1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/BVIOUVOOSLTMGZ-ZBMVRHCNSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C39H21F17N6O2/c40-32(41,33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56)17-18-64-31-29(60-24-11-5-6-12-25(24)62-31)16-15-27-26(57-20-7-1-2-8-21(20)58-27)13-14-28-30(19-63)61-23-10-4-3-9-22(23)59-28/h1-16,19H,17-18H2/b14-13+,16-15+ |
|---|---|
| SMILES | O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChI Key | BVIOUVOOSLTMGZ-ZBMVRHCNSA-N |
| Molecular Formula | C39H21F17N6O2 |
| Exact Mass | 928.596 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 | 338236e5-48e4-43ae-88a9-76765c560217 |
| Package id | 10-14272-bviouvoosltmgz-zbmvrhcnsa-n-chmo0000593 |
| Resource type | HTML |
| State | active |