infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/FVGOKCWNDNLDFP-FQVDSHNBSA-N/CHMO0000630
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C66H50N4O4/c1-3-73-65(71)51-29-25-49(26-30-51)63-59-39-35-55(67-59)53(33-19-43-15-21-47(22-16-43)45-11-7-5-8-12-45)57-37-41-61(69-57)64(50-27-31-52(32-28-50)66(72)74-4-2)62-42-38-58(70-62)54(56-36-40-60(63)68-56)34-20-44-17-23-48(24-18-44)46-13-9-6-10-14-46/h5-42,67,70H,3-4H2,1-2H3/b33-19+,34-20+,55-53-,56-54-,57-53-,58-54-,63-59-,63-60-,64-61-,64-62- |
|---|---|
| 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=C/c1ccc(cc1)c1ccccc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C=C/c1ccc(cc1)c1ccccc1 |
| InChI Key | FVGOKCWNDNLDFP-FQVDSHNBSA-N |
| Molecular Formula | C66H50N4O4 |
| Exact Mass | 963.128 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 | 8f7d606c-9858-4bba-87f9-f7d390aa081a |
| Package id | 10-14272-fvgokcwndnldfp-fqvdshnbsa-n-chmo0000630 |
| Resource type | HTML |
| State | active |