1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/LZLBFGNMDBPDEG-UHFFFAOYSA-L/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C80H34F24N12O4.Zn/c81-73(82,83)37-13-33(14-38(21-37)74(84,85)86)45-9-11-47(35-17-41(77(93,94)95)23-42(18-35)78(96,97)98)59-57(45)67-111-63-49-25-53-54(106-61(105-53)29-1-5-31(6-2-29)71(117)118)26-50(49)64(109-63)112-68-58-46(34-15-39(75(87,88)89)22-40(16-34)76(90,91)92)10-12-48(36-19-43(79(99,100)101)24-44(20-36)80(102,103)104)60(58)70(116-68)114-66-52-28-56-55(27-51(52)65(110-66)113-69(59)115-67)107-62(108-56)30-3-7-32(8-4-30)72(119)120;/h1-28H,(H6,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120);/q;+2/p-2 |
|---|---|
| SMILES | OC(=O)c1ccc(cc1)c1nc2c([nH]1)cc1c(c2)C2=N/C/1=N\c1c3c(ccc(c3c3n1[Zn]n1/c(=N\2)/c2c(ccc(c2/c/1=N/C1=N/C(=N\3)/c2c1cc1c(c2)nc([nH]1)c1ccc(cc1)C(=O)O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| InChI Key | LZLBFGNMDBPDEG-UHFFFAOYSA-L |
| Molecular Formula | C80H32F24N12O4Zn |
| Exact Mass | 1746.530 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | March 9, 2025 |
| Metadata last updated | March 9, 2025 |
| Created | March 9, 2025 |
| Format | HTML |
| License | No License Provided |
| Id | 30f8a5ce-2bdf-4e20-97d7-4c5982ad9c4d |
| Package id | 10-14272-lzlbfgnmdbpdeg-uhfffaoysa-l-chmo0000593 |
| Resource type | HTML |
| State | active |