1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/YTMDZVLVQKEENN-SMDKEBRUSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C120H72N12.3Ni/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;;/h1-72H;;;/q-6;3*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;; |
|---|---|
| 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)/c1ccccc1/C/1=c/2\cc/c/3=C(/C4=N/C(=C(\c5n([Ni]n23)c(/C(=C/2\N=C1C=C2)/c1ccccc1)cc5)/c1ccccc1)/C=C4)\c1ccccc1)/c1ccccc1/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Ni]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccccc1)/c1ccccc1 |
| InChI Key | YTMDZVLVQKEENN-SMDKEBRUSA-N |
| Molecular Formula | C120H72N12Ni3 |
| Exact Mass | 1858.016 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 | 40ed80b3-3283-4148-8bee-1902b2e68edd |
| Package id | 10-14272-ytmdzvlvqkeenn-smdkebrusa-n-chmo0000593 |
| Resource type | HTML |
| State | active |