mass spectrometry (MS)
URL: https://www.chemotion-repository.net/inchikey/PNJCQSRZVFLATK-RORYYHOOSA-M/CHMO0000470.1
Chemical Info
| InChI | InChI=1S/C45H29N4O.Ni/c50-28-32-18-10-11-19-33(32)45-40-26-24-38(48-40)43(30-14-6-2-7-15-30)36-22-20-34(46-36)42(29-12-4-1-5-13-29)35-21-23-37(47-35)44(31-16-8-3-9-17-31)39-25-27-41(45)49-39;/h1-28H,(H-,46,47,48,49,50);/q-1;+2/p-1/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-; |
|---|---|
| SMILES | O=Cc1ccccc1/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 | PNJCQSRZVFLATK-RORYYHOOSA-M |
| Molecular Formula | C45H29N4NiO+ |
| Exact Mass | 699.423 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 | 6a854162-71b1-4dc5-9d17-3f1a549f7ba3 |
| Package id | 10-14272-pnjcqsrzvflatk-roryyhoosa-m-chmo0000470-1 |
| Resource type | HTML |
| State | active |