infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/LLIFZWKYANUXDS-AJIYHSCXSA-N/CHMO0000630
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C66H46N4O4/c1-3-73-65(71)41-25-21-39(22-26-41)61-53-29-33-57(67-53)63(51-37-43-13-5-7-15-45(43)47-17-9-11-19-49(47)51)59-35-31-55(69-59)62(40-23-27-42(28-24-40)66(72)74-4-2)56-32-36-60(70-56)64(58-34-30-54(61)68-58)52-38-44-14-6-8-16-46(44)48-18-10-12-20-50(48)52/h5-38,67,70H,3-4H2,1-2H3/b61-53-,61-54-,62-55-,62-56-,63-57-,63-59-,64-58-,64-60- |
|---|---|
| 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)/c1cc4ccccc4c4c1cccc4)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1cc2ccccc2c2c1cccc2 |
| InChI Key | LLIFZWKYANUXDS-AJIYHSCXSA-N |
| Molecular Formula | C66H46N4O4 |
| Exact Mass | 959.096 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 | cf63ee6d-0252-4c92-9e8c-a3de5e0c5bde |
| Package id | 10-14272-llifzwkyanuxds-ajiyhscxsa-n-chmo0000630 |
| Resource type | HTML |
| State | active |