1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/DUIPPOCVWFEWBX-WXUNRCGOSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+ |
|---|---|
| SMILES | CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1ccc(cc1)/C=C/c1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2ccccc2nc1OCCCCCCCC)c1ccccc1)c1ccccc1 |
| InChI Key | DUIPPOCVWFEWBX-WXUNRCGOSA-N |
| Molecular Formula | C106H90N12O2 |
| Exact Mass | 1563.928 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 1a507c7b-bcea-4721-916b-0a5ae1ee2fb6 |
| Package id | 10-14272-duippocvwfewbx-wxunrcgosa-n-chmo0000593 |
| Resource type | HTML |
| State | active |