two-dimensional nuclear magnetic resonance...
URL: https://www.chemotion-repository.net/inchikey/CDVMGELSTOUEQI-UHFFFAOYSA-N/CHMO0000598
Dataset description:
dataset for two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)\n\n
Source: two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)
Chemical Info
| InChI | InChI=1S/C29H16F15NO/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(46)20-18-13-7-8-14-19(18)45(15-16-9-3-1-4-10-16)21(20)17-11-5-2-6-12-17/h1-14H,15H2 |
|---|---|
| SMILES | O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1c(c2ccccc2)n(c2c1cccc2)Cc1ccccc1 |
| InChI Key | CDVMGELSTOUEQI-UHFFFAOYSA-N |
| Molecular Formula | C29H16F15NO |
| Exact Mass | 679.419 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 | 16146ec6-5952-4b71-91cd-baabe10494e6 |
| Package id | 10-14272-cdvmgelstoueqi-uhfffaoysa-n-chmo0000598 |
| Resource type | HTML |
| State | active |