mass spectrometry (MS)
URL: https://www.chemotion-repository.net/inchikey/DYSYYPJZFGJYMY-OOBAMIPXSA-J/CHMO0000470
Chemical Info
| InChI | InChI=1S/C82H56N8O4.2ClH.2Mn/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);2*1H;;/q-2;;;2*+3/p-4/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;;; |
|---|---|
| SMILES | CCOC(=O)c1ccc(cc1)/C/1=c/2\cc/c/3=C(/C4=N/C(=C(\c5n([Mn](n23)Cl)c(/C=C/2\N=C1C=C2)cc5)/c1ccc(cc1)C(=O)OCC)/C=C4)\c1ccccc1/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Mn](n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccccc1)Cl)/c1ccccc1 |
| InChI Key | DYSYYPJZFGJYMY-OOBAMIPXSA-J |
| Molecular Formula | C82H56Cl2Mn2N8O4+2 |
| Exact Mass | 1396.139 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 | f9581a22-d4b1-4243-8fbc-1bf3229b735f |
| Package id | 10-14272-dysyypjzfgjymy-oobamipxsa-j-chmo0000470 |
| Resource type | HTML |
| State | active |