1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/PMTBSNYNWZNYBP-UHFFFAOYSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C68H32F24N8O4.Zn/c1-101-45-21-41-42(22-46(45)102-2)54-93-53(41)95-57-49-37(25-9-29(61(69,70)71)17-30(10-25)62(72,73)74)5-6-38(26-11-31(63(75,76)77)18-32(12-26)64(78,79)80)50(49)59(99-57)97-55-43-23-47(103-3)48(104-4)24-44(43)56(94-55)98-60-52-40(28-15-35(67(87,88)89)20-36(16-28)68(90,91)92)8-7-39(51(52)58(96-54)100-60)27-13-33(65(81,82)83)19-34(14-27)66(84,85)86;/h5-24H,1-4H3;/q-2;+2 |
|---|---|
| SMILES | COc1cc2C3=N/C(=N\c4c5c(ccc(c5c5n4[Zn]n4/c(=N\3)/c3c(ccc(c3/c/4=N/C3=N/C(=N\5)/c4c3cc(OC)c(c4)OC)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)/c2cc1OC |
| InChI Key | PMTBSNYNWZNYBP-UHFFFAOYSA-N |
| Molecular Formula | C68H32F24N8O4Zn |
| Exact Mass | 1546.375 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 | 7b53e227-ced2-43af-8dd9-f47b86a6a8f0 |
| Package id | 10-14272-pmtbsnynwznybp-uhfffaoysa-n-chmo0000593 |
| Resource type | HTML |
| State | active |