1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/JVGPCXSCDWSVRU-HWNMUZRGSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C76H47N9.Ni.Zn/c1-7-19-47(20-8-1)69-53-31-35-57(77-53)71(49-23-11-3-12-24-49)61-39-43-65(81-61)75(66-44-40-62(82-66)72(50-25-13-4-14-26-50)58-36-32-54(69)78-58)85-76-67-45-41-63(83-67)73(51-27-15-5-16-28-51)59-37-33-55(79-59)70(48-21-9-2-10-22-48)56-34-38-60(80-56)74(52-29-17-6-18-30-52)64-42-46-68(76)84-64;;/h1-46,85H;;/q-4;2*+2/b69-53-,69-54-,70-55-,70-56-,71-57-,71-61-,72-58-,72-62-,73-59-,73-63-,74-60-,74-64-,75-65+,75-66+,76-67+,76-68+;; |
|---|---|
| SMILES | c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Ni]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/N/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Zn]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccccc1)/c1ccccc1)/c1ccccc1 |
| InChI Key | JVGPCXSCDWSVRU-HWNMUZRGSA-N |
| Molecular Formula | C76H47N9NiZn |
| Exact Mass | 1210.320 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | ac46f277-f10d-443e-aea4-9e4c959f53a3 |
| Package id | 10-14272-jvgpcxscdwsvru-hwnmuzrgsa-n-chmo0000593 |
| Resource type | HTML |
| State | active |