mass spectrometry (MS)
URL: https://www.chemotion-repository.net/inchikey/YNHSRIYWLOEFKN-NDIBZSDSSA-L/CHMO0000470
Chemical Info
InChI | InChI=1S/C88H54N8.2ClH.2Mn/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;;;/h1-54H;2*1H;;/q-4;;;2*+3/p-2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;;; |
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SMILES | Cl[Mn]1n2/c/3=C(\C4=N/C(=C(\c5n1c(cc5)/C(=C/1\N=C(/C(=c\2/cc3)/c2ccccc2c2cc3n5c2/C(=C\2/C=CC(=N2)/C(=c/2\n([Mn]5Cl)/c(=C(\C5=N/C(=C\3/c3ccccc3)/C=C5)/c3ccccc3)/cc2)/c2ccccc2)/c2ccccc2)C=C1)/c1ccccc1)/c1ccccc1)/C=C4)/c1ccccc1 |
InChI Key | YNHSRIYWLOEFKN-NDIBZSDSSA-L |
Molecular Formula | C88H54Cl2Mn2N8 |
Exact Mass | 1404.206 g/mol |
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Additional Information
Field | Value |
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Data last updated | September 7, 2024 |
Metadata last updated | September 7, 2024 |
Created | September 7, 2024 |
Format | HTML |
License | No License Provided |
Id | ef4788e7-ac49-404d-87ec-d48d88977155 |
Package id | 10-14272-ynhsriywloefkn-ndibzsdssa-l-chmo0000470 |
Resource type | HTML |
State | active |