infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/NJJJGXDUDISIKH-RQECDEDSSA-N/CHMO0000630
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C56H42N4O6/c1-5-65-55(61)39-19-15-37(16-20-39)53-47-31-27-43(57-47)41(25-23-35-11-7-9-13-51(35)63-3)45-29-33-49(59-45)54(38-17-21-40(22-18-38)56(62)66-6-2)50-34-30-46(60-50)42(44-28-32-48(53)58-44)26-24-36-12-8-10-14-52(36)64-4/h7-22,27-34,57,60H,5-6H2,1-4H3/b43-41-,44-42-,45-41-,46-42-,53-47-,53-48-,54-49-,54-50- |
|---|---|
| SMILES | CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/C#Cc1ccccc1OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccccc1OC |
| InChI Key | NJJJGXDUDISIKH-RQECDEDSSA-N |
| Molecular Formula | C56H42N4O6 |
| Exact Mass | 866.956 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 | ac63b2d5-ab7f-4809-84be-14dc66cd3d0f |
| Package id | 10-14272-njjjgxdudisikh-rqecdedssa-n-chmo0000630 |
| Resource type | HTML |
| State | active |