1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/CRQVKDBVTVUHKQ-OMBJQYCLSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C88H58N8/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/h1-54,89-90,95-96H/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- |
|---|---|
| SMILES | c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4[nH]c(/C(=C/5\N=C1C=C5)/c1ccccc1)cc4)/c1ccccc1)/C=C3)\c1ccccc1c1cc3[nH]c1/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C(/C4=N/C(=C\3/c3ccccc3)/C=C4)\c3ccccc3)/[nH]1)/c1ccccc1)/c1ccccc1)/[nH]2 |
| InChI Key | CRQVKDBVTVUHKQ-OMBJQYCLSA-N |
| Molecular Formula | C88H58N8 |
| Exact Mass | 1227.456 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 | 742d19c2-55a0-4dcb-8aad-5d87b2ee5567 |
| Package id | 10-14272-crqvkdbvtvuhkq-ombjqyclsa-n-chmo0000593 |
| Resource type | HTML |
| State | active |