1H--13C heteronuclear single quantum coherence...
URL: https://www.chemotion-repository.net/inchikey/PJSXBWDVIGHOEZ-JLXBFWJWSA-N/CHMO0001146
Dataset description:
dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n
Source: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
| InChI | InChI=1S/C41H25F17N6O2/c1-20-22(60-24-9-3-2-8-23(24)59-20)14-15-29-30(62-26-11-5-4-10-25(26)61-29)16-17-31-32(64-28-13-7-6-12-27(28)63-31)33-65-19-21(66-33)18-34(42,43)35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58/h2-17,21,33H,18-19H2,1H3/b15-14+,17-16+ |
|---|---|
| SMILES | Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(O1)CC(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 | PJSXBWDVIGHOEZ-JLXBFWJWSA-N |
| Molecular Formula | C41H25F17N6O2 |
| Exact Mass | 956.649 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 | b32476ce-4570-437b-b97a-bf65e55afc91 |
| Package id | 10-14272-pjsxbwdvighoez-jlxbfwjwsa-n-chmo0001146 |
| Resource type | HTML |
| State | active |